trastuzumab-MMAE conjugate DAR12
     RDKit          2D

833877  0  0  0  0  0  0  0  0999 V2000
  -20.2533  -14.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4771  -16.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0165  -15.9211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8358  -17.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8900  -14.4264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1194  -18.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2724  -13.8442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5759  -18.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0890  -19.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3521  -16.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4647  -19.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7750  -20.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9933  -15.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8627  -20.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.9555  -19.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7097  -14.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7401  -13.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0541  -12.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.3377  -13.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.3073  -14.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4915  -19.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5219  -18.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.8444  -20.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.3352  -20.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.2240  -21.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -27.9372  -18.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.7149  -21.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.6037  -22.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.0945  -22.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -32.9834  -23.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.4742  -23.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.3630  -24.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -36.8538  -24.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.7427  -25.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -39.2335  -25.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -40.1223  -26.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -41.6132  -26.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.5020  -27.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -43.9928  -27.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.8817  -28.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.3725  -28.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -47.2613  -29.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.7522  -29.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.6410  -30.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.1318  -30.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -49.0390  -32.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0206  -31.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.4186  -33.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -53.5115  -31.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.3075  -34.4393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -49.9278  -33.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -54.4003  -32.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -54.1135  -30.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.7055  -35.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.2146  -35.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.5943  -37.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.6126  -37.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -49.3258  -34.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -51.9923  -38.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.1218  -37.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.5198  -38.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.0290  -39.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.1401  -37.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.7421  -36.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.6493  -38.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.2330  -36.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.0473  -39.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.8811  -39.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.2791  -40.9776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -53.1680  -42.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.5660  -43.5598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -54.6588  -42.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -41.5565  -39.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.9545  -40.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -40.6677  -38.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -41.8433  -42.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -39.4637  -41.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.3341  -41.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -41.2413  -43.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.2230  -43.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -43.9361  -40.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -42.1301  -44.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -39.7505  -43.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.7138  -43.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.3158  -41.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.6026  -44.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.8066  -41.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -45.4270  -40.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -47.3927  -44.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.8377  -45.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.6955  -42.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.4086  -40.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.0935  -44.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.1863  -42.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.9823  -45.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.6026  -44.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -51.0751  -43.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.7883  -41.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.3803  -46.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.1726  -45.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.2691  -47.8471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -46.8895  -46.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -48.8140  -49.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.0328  -50.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.3902  -49.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.8995  -39.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.2410  -49.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.0870  -51.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.2696  -48.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -50.7691  -47.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.2076  -52.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.6632  -51.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.8458  -49.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.9045  -53.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -49.6315  -51.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -49.0251  -54.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.4489  -54.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.7219  -56.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.5695  -55.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.7521  -52.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.9934  -54.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -54.1140  -55.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -53.8108  -57.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.3870  -57.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.2663  -56.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0146   -6.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1087   -7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7672   -8.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8613   -9.8970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5198  -11.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6139  -12.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1217   14.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3455   15.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850   15.0679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7584   13.5733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408   12.9911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7043   16.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9879   17.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4444   17.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2205   15.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8618   14.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5782   13.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6086   12.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226   11.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2061   12.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1757   13.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9575   19.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6435   19.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3599   19.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   17.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3332   18.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7312   19.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240   18.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7128   19.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2037   19.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0925   20.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8057   17.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5833   20.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4722   21.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9630   21.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8518   22.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3427   22.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2315   23.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7223   23.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6112   24.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1020   24.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9908   25.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4816   25.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3705   26.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8613   26.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7501   27.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2410   27.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1298   28.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6206   28.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5095   29.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0003   29.7957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.9075   31.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.8891   31.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2871   32.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1759   33.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.7963   32.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.5739   34.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.3799   30.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.2688   32.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9819   29.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0831   35.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4811   36.4996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.1943   33.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.9903   36.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3883   38.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8975   38.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0086   36.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6106   35.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1015   35.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.4628   36.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8608   37.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7496   38.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1476   40.1245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.0364   41.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.4344   42.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.5273   41.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5178   37.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9158   38.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4250   38.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8230   40.0754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5361   37.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.7118   41.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3321   40.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2026   41.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0915   42.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.8046   39.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5823   42.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1843   40.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6751   40.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.2955   39.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1098   42.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9986   43.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6190   42.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4711   43.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9577   43.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7061   44.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5639   41.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2771   39.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9619   43.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8508   44.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2488   45.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1376   46.9940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.7579   45.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4711   43.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0411   44.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0548   41.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9436   42.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6568   40.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7679   39.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6825   48.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9012   49.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1095   48.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6376   46.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2587   48.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9555   50.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0761   51.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7729   52.8304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.4999   50.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.8936   53.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3174   53.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4380   54.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5904   55.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6206   51.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.8618   53.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9825   54.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.6793   56.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.2554   56.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1348   55.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1381   47.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7142   48.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5317   50.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8831    5.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9772    6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    8.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7298    9.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3882   10.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4824   11.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1427   -1.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0485   -0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128   -0.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2713   -2.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5187    0.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8602    1.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7415   -1.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111    0.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942   -2.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -4.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5882   -5.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239   -4.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466   -6.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3654   -3.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3408   -7.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110   -7.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765   -7.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3104   -9.3078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1180   -5.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6334   -8.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7273   -9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8011   -2.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1618  -11.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1804   -7.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8968   -7.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384   -5.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4404   -7.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330   -5.5255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -8.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3152   -6.9079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230  -10.2114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645   -8.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3065  -10.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8147  -11.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -7.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7630  -10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592  -10.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803  -12.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5392   -9.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0389   -9.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7624  -10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9862  -11.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4865  -11.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -6.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280  -13.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0624  -14.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707  -15.8596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3115  -15.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051  -17.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3134  -18.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1478  -19.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1905  -22.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3988  -22.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2332  -24.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4415  -25.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2759  -26.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842  -27.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186  -29.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5269  -30.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3613  -31.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5696  -32.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040  -34.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6123  -34.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4467  -36.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6550  -37.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4894  -38.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289  -36.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6977  -39.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0716  -39.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5321  -41.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2799  -39.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2372  -37.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404  -42.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1582  -41.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6538  -39.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8194  -37.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8620  -40.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1933  -37.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6111  -36.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2359  -39.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3589  -35.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7328  -35.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8984  -33.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6901  -32.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3162  -33.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8557  -31.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1506  -34.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2296  -30.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4442  -40.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8181  -39.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0264  -40.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4003  -40.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8608  -42.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3952  -29.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7691  -28.5900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1869  -28.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9774  -29.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9347  -27.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8118  -30.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3513  -28.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0200  -31.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4379  -31.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5595  -29.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5169  -27.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8544  -33.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4805  -33.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0627  -34.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3149  -35.4422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2723  -33.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2628  -35.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3530  -33.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5232  -36.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9410  -36.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8971  -35.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3576  -37.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1054  -36.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0627  -34.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5659  -38.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9837  -38.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4793  -36.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4998  -33.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6876  -36.9047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6449  -34.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1169  -36.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9914  -37.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5889  -35.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7754  -37.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1026  -38.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0579  -34.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5918  -33.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6788  -38.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0550  -35.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5299  -33.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0637  -32.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5240  -35.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5831  -37.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5211  -36.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0492  -38.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9902  -36.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0463  -39.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5802  -38.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5743  -40.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5714  -41.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0405  -41.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5124  -40.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5153  -38.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5344    7.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6775    8.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2418    8.2139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9421   10.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2114    6.7142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6283    6.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1733   10.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6497   10.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0468   12.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5066    9.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4593   11.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2420    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0109    7.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1374    5.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4950    5.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7262    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5997    7.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6891   13.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4579   12.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5845   10.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7704   13.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9576   11.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7672   13.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2655   13.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.0750   14.3662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -26.9544   11.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -28.5734   14.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.3829   15.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.8813   15.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6908   16.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.1892   16.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.9987   17.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -35.4971   17.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.3066   19.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.8050   19.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -38.6145   20.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.1129   20.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.9224   21.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -42.4208   21.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.2303   22.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.7287   22.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -45.5382   23.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.0366   23.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.8461   25.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.3445   25.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -47.5001   26.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -50.1540   26.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.4651   27.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.6524   26.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.2746   28.8930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -48.0281   28.0604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -49.5858   30.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.0874   30.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.3953   31.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.4619   27.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.3413   24.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.3985   31.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -47.1300   29.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -45.9001   31.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.0906   30.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.5923   30.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.9034   31.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.7129   33.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -41.4050   31.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.2113   33.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.7064   32.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -50.5159   34.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.8271   35.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -50.6366   36.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.9477   38.0113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -52.1350   36.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -40.5955   30.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -39.0971   30.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -38.2876   29.4503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -38.4082   32.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -38.9765   28.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.7892   29.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.4748   28.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -38.1669   26.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -41.1637   26.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -41.2844   29.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -42.6621   26.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.4716   27.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.3510   25.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.9700   27.8392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -42.7827   29.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -45.6589   26.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.7795   29.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -38.5129   25.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.6686   26.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.7880   24.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.2599   24.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.8493   25.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.1572   26.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.3510   25.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.5382   23.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -42.5414   24.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -41.0431   24.1204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -42.8874   22.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -40.2187   25.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -45.0583   22.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.5032   24.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.9668   27.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -47.1206   28.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -38.7721   24.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.7480   26.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -38.7025   23.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.1060   22.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -39.7971   27.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.2281   27.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -38.3170   27.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -40.3264   29.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.3661   28.8539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -37.4638   26.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -35.8860   28.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.3568   27.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.9352   29.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8766   26.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.3076   26.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -33.3474   25.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.8672   25.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.9164   26.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.4457   27.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.9258   28.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.7574   28.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2620   -3.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1678   -2.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2359   -4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2881   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7322   -3.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6380   -2.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2023   -2.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1082   -1.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6725   -2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5784   -1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7753   -4.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8536   -1.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7492   -5.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8796   -0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4451    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4712    2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0367    3.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0628    4.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2886   -5.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2625   -6.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8019   -6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7758   -7.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2120   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4956   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1541    1.2898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9521   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6594    1.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0772    0.0340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7282   -1.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3695   -3.2696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2279   -1.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0859   -4.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5778   -4.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6294   -3.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8533   -2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3536   -2.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6300   -3.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4062   -5.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9059   -5.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9514   -0.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1753    0.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6756    0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9517   -3.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4122   -5.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6205   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4549   -8.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6631   -8.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0810   -8.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4975  -10.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7058  -11.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5402  -12.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7485  -13.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5829  -15.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7912  -16.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6256  -17.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8339  -18.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6683  -19.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8766  -20.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7110  -22.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9193  -23.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7537  -24.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9620  -25.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7964  -27.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0047  -27.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8391  -29.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0474  -30.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8818  -31.8255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.4213  -29.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0901  -32.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4640  -32.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9245  -34.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6723  -33.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.6296  -30.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0462  -32.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2118  -30.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2545  -33.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1328  -35.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5506  -34.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5857  -30.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.0035  -30.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.7513  -28.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1252  -28.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2908  -26.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0825  -25.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7086  -26.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2481  -24.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5430  -27.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6284  -32.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8367  -33.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2106  -32.9728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.4189  -33.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.7928  -33.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.2533  -35.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.6220  -23.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.7876  -22.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.1615  -21.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.5793  -21.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.3698  -22.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.3271  -20.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.2042  -24.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.7437  -21.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.4125  -24.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.8303  -24.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.2469  -26.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.8730  -27.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.4552  -27.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.7074  -28.5003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.6647  -26.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.9157  -29.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.3335  -29.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9520  -22.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.9093  -20.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.6552  -28.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.8922  -26.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2896  -28.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.7501  -30.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.4979  -29.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.4552  -27.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.8718  -29.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.0801  -29.9628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.0374  -27.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.5094  -29.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7455  -26.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.9584  -31.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.3762  -31.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1679  -30.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.3839  -30.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9813  -28.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.4950  -31.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.0712  -31.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.4503  -27.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.9842  -26.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.4474  -28.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.9223  -26.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.9165  -28.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   57.9755  -30.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.9136  -29.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.4416  -31.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.3826  -29.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.4387  -32.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.9726  -31.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.9668  -33.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.9639  -34.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.4329  -34.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.9049  -33.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.9078  -31.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.4562  -25.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8581   14.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150   15.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1506   15.1557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810   13.6560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7642   13.1637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4503   17.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2192   17.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427   17.6589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   16.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1504   14.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   14.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   11.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662   12.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928   14.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   19.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034   20.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9345   19.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8080   17.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9332   18.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   20.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   18.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   20.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269   20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   21.3081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5620   18.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1810   21.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905   22.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889   22.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2984   23.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7968   23.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6063   24.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1047   24.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9142   26.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4126   26.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2221   27.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7205   27.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5300   28.4670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0284   28.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8379   29.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3363   29.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1458   30.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.6442   30.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4537   32.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9521   31.9768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1077   33.5060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7616   33.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0727   34.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.8822   35.8349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6357   35.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1933   37.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2599   33.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0695   34.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.9488   31.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6950   37.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0061   38.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7376   36.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5077   38.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6982   37.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1998   37.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5109   38.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3205   40.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8188   39.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0029   38.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3140   39.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1235   41.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4346   42.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.2441   43.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5553   44.9532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -25.7425   43.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0126   38.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2031   37.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7047   37.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8952   36.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0158   38.9874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5840   35.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3968   36.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0824   34.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7713   33.6575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8919   36.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2697   33.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0792   34.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5776   34.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3903   36.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7745   33.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1205   32.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2761   33.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9585   32.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3955   31.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4786   30.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2664   33.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3871   36.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4569   32.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9585   32.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1490   30.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6506   31.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4950   29.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1458   30.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0548   29.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7648   33.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1108   31.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5743   34.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7282   35.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8263   32.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3797   31.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3100   30.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7136   29.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3555   33.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4047   34.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9246   34.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9737   35.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0714   33.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4936   35.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9643   34.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4842   33.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5427   36.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9152   32.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9549   32.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4748   32.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5240   33.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0532   34.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333   35.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8356   33.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3649   35.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9339   36.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1305    3.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0363    2.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006    2.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5065    1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0708    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767    0.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1565    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1044    4.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6171    2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    5.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5128    6.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9473    8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9212    9.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3557   10.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296   11.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6432    1.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1038    1.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1299    0.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5905    0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6166   -0.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4468    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2246    4.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3561   -4.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  7  1  0
  1 16  1  0
  2  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  2  0
  4 22  1  0
  5  7  1  0
  6  8  1  0
  6  9  1  0
  7131  1  0
  8 10  1  0
  8 11  1  0
  9 12  2  0
 10 13  1  0
 11 14  2  0
 11 15  1  0
 12 21  1  0
 13 16  2  0
 13 20  1  0
 15 23  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 21 22  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  2  0
 45 47  1  0
 47 48  1  0
 47 49  1  0
 48 50  1  0
 48 51  2  0
 49 52  1  0
 49 53  1  0
 50 54  1  0
 54 55  1  0
 54 56  1  0
 55 57  1  0
 55 58  2  0
 56 59  1  0
 57 60  1  0
 59 68  1  0
 60 61  2  0
 60 66  1  0
 61 62  1  0
 62 63  2  0
 63 64  1  0
 63 65  1  0
 64 66  2  0
 65 67  1  0
 67 73  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
 70 72  2  0
 73 74  1  0
 73 75  2  0
 74 76  1  0
 74 77  1  0
 76 78  1  0
 76 79  1  0
 78 80  1  0
 78 81  2  0
 79 82  1  0
 79 83  1  0
 80 84  1  0
 84 85  1  0
 84 86  1  0
 85 87  1  0
 85 88  2  0
 86 89  1  0
 86 90  1  0
 87 91  1  0
 87 92  1  0
 91 93  1  0
 91 94  1  0
 93 95  1  0
 93 96  1  0
 94 97  1  0
 94 98  1  0
 95 99  1  0
 96100  1  0
 98106  1  0
 99101  1  0
 99102  2  0
101103  1  0
101110  1  0
103104  1  0
103105  1  0
104107  1  0
105108  1  0
105109  1  0
107110  1  0
108111  1  0
108112  1  0
109113  1  0
111114  1  0
111115  2  0
114116  1  0
116117  1  0
116118  1  0
117119  1  0
117120  1  0
119121  2  0
119125  1  0
121122  1  0
122123  2  0
123124  1  0
124125  2  0
126127  1  0
126833  1  0
127128  1  0
128129  1  0
129130  1  0
130131  1  0
132133  2  0
132136  1  0
132142  1  0
133134  1  0
133137  1  0
134135  2  0
135136  1  0
136262  1  0
137138  2  0
137150  1  0
138139  1  0
138147  1  0
139140  1  0
139151  1  0
140141  1  0
141142  2  0
141146  1  0
142143  1  0
143144  2  0
144145  1  0
145146  2  0
147148  2  0
148149  1  0
149150  2  0
151152  2  0
151153  1  0
153154  1  0
154155  1  0
155156  1  0
155157  2  0
156158  1  0
158159  1  0
159160  1  0
160161  1  0
161162  1  0
162163  1  0
163164  1  0
164165  1  0
165166  1  0
166167  1  0
167168  1  0
168169  1  0
169170  1  0
170171  1  0
171172  1  0
172173  1  0
173174  1  0
174175  1  0
175176  1  0
175177  2  0
176178  1  0
178179  1  0
178183  1  0
179180  1  0
179181  2  0
180182  1  0
182186  1  0
182195  1  0
183184  1  0
183185  1  0
186187  1  0
186188  2  0
187189  1  0
189190  2  0
189194  1  0
190191  1  0
191192  2  0
192193  1  0
192202  1  0
193194  2  0
195196  1  0
196197  1  0
197198  1  0
198199  1  0
199200  1  0
199201  2  0
202203  1  0
203204  1  0
204205  1  0
204206  2  0
205207  1  0
205208  1  0
207209  1  0
207216  1  0
209210  1  0
209211  2  0
210212  1  0
212213  1  0
212219  1  0
213214  1  0
213215  2  0
214222  1  0
214223  1  0
216217  1  0
216218  1  0
219220  1  0
219221  1  0
222224  1  0
222231  1  0
224225  1  0
224229  1  0
225226  1  0
226227  1  0
226228  2  0
227235  1  0
227238  1  0
229230  1  0
231232  1  0
231233  1  0
233234  1  0
235236  1  0
235239  1  0
236237  1  0
237238  1  0
239240  1  0
239254  1  0
240241  1  0
240256  1  0
241242  1  0
241243  2  0
242244  1  0
244245  1  0
244247  1  0
245246  1  0
245248  1  0
246249  2  0
246253  1  0
249250  1  0
250251  2  0
251252  1  0
252253  2  0
254255  1  0
257258  1  0
257832  1  0
258259  1  0
259260  1  0
260261  1  0
261262  1  0
263264  1  0
263547  1  0
264265  1  0
265266  1  0
265267  1  0
266272  1  0
267268  1  0
267269  1  0
268270  1  0
268271  1  0
270272  1  0
270273  1  0
271831  1  0
272274  1  0
274275  1  0
275276  1  0
275277  1  0
276278  1  0
276283  1  0
277279  1  0
277280  1  0
278286  1  0
279281  1  0
279282  1  0
281283  1  0
281284  1  0
282285  2  0
284285  1  0
285287  1  0
288289  2  0
288294  1  0
288303  1  0
289290  1  0
289291  1  0
290292  2  0
291293  2  0
291309  1  0
292294  1  0
293295  1  0
293296  1  0
294559  1  0
295297  1  0
295298  1  0
296299  2  0
297300  1  0
298301  2  0
298302  1  0
299308  1  0
300303  2  0
300307  1  0
302310  1  0
303304  1  0
304305  2  0
305306  1  0
306307  2  0
308309  2  0
310311  1  0
311312  1  0
311313  2  0
312314  1  0
314315  1  0
315316  1  0
316317  1  0
317318  1  0
318319  1  0
319320  1  0
320321  1  0
321322  1  0
322323  1  0
323324  1  0
324325  1  0
325326  1  0
326327  1  0
327328  1  0
328329  1  0
329330  1  0
330331  1  0
331332  1  0
331333  2  0
332334  1  0
334335  1  0
334336  1  0
335337  1  0
335338  2  0
336339  1  0
336340  1  0
337341  1  0
341342  1  0
341343  1  0
342344  1  0
342345  2  0
343346  1  0
344347  1  0
346355  1  0
347348  2  0
347353  1  0
348349  1  0
349350  2  0
350351  1  0
350352  1  0
351353  2  0
352354  1  0
354360  1  0
355356  1  0
356357  1  0
357358  1  0
357359  2  0
360361  1  0
360362  2  0
361363  1  0
361364  1  0
363365  1  0
363366  1  0
365367  1  0
365368  2  0
366369  1  0
366370  1  0
367371  1  0
371372  1  0
371373  1  0
372374  1  0
372375  2  0
373376  1  0
373377  1  0
374378  1  0
374379  1  0
378380  1  0
378381  1  0
380382  1  0
380383  1  0
381384  1  0
381385  1  0
382386  1  0
383387  1  0
385393  1  0
386388  1  0
386389  2  0
388390  1  0
388397  1  0
390391  1  0
390392  1  0
391394  1  0
392395  1  0
392396  1  0
394397  1  0
395398  1  0
395399  1  0
396400  1  0
398401  1  0
398402  2  0
401403  1  0
403404  1  0
403405  1  0
404406  1  0
404407  1  0
406408  2  0
406412  1  0
408409  1  0
409410  2  0
410411  1  0
411412  2  0
413414  2  0
413418  1  0
413425  1  0
414415  1  0
414416  1  0
415417  2  0
416419  2  0
416432  1  0
417418  1  0
418555  1  0
419420  1  0
419421  1  0
420422  1  0
420423  1  0
421430  2  0
422424  1  0
423433  2  0
423434  1  0
424425  2  0
424429  1  0
425426  1  0
426427  2  0
427428  1  0
428429  2  0
430431  1  0
431432  2  0
434435  1  0
435436  1  0
436437  1  0
436438  2  0
437439  1  0
439440  1  0
440441  1  0
441442  1  0
442443  1  0
443444  1  0
444445  1  0
445446  1  0
446447  1  0
447448  1  0
448449  1  0
449450  1  0
450451  1  0
451452  1  0
452453  1  0
453454  1  0
454455  1  0
455456  1  0
456457  1  0
456458  2  0
457459  1  0
459460  1  0
459461  1  0
460462  1  0
460463  2  0
461467  1  0
461468  1  0
462464  1  0
464465  1  0
464466  1  0
465469  1  0
465470  2  0
466478  1  0
469471  1  0
471472  2  0
471477  1  0
472473  1  0
473474  2  0
474475  1  0
474476  1  0
475477  2  0
476484  1  0
478479  1  0
479480  1  0
480481  1  0
481482  1  0
481483  2  0
484485  1  0
485486  1  0
485487  2  0
486488  1  0
486489  1  0
488490  1  0
488491  1  0
490492  1  0
490493  2  0
491501  1  0
491502  1  0
492494  1  0
494495  1  0
494496  1  0
495497  1  0
495498  2  0
496503  1  0
496504  1  0
497499  1  0
497500  1  0
499505  1  0
499506  1  0
505507  1  0
505508  1  0
506514  1  0
506515  1  0
507509  1  0
508513  1  0
509510  1  0
509511  2  0
510512  1  0
510520  1  0
512517  1  0
512518  1  0
515516  1  0
517519  1  0
518521  1  0
518522  1  0
519520  1  0
521523  1  0
521524  1  0
522537  1  0
523525  1  0
523526  2  0
525527  1  0
527528  1  0
527529  1  0
528530  1  0
528531  1  0
530532  2  0
530536  1  0
532533  1  0
533534  2  0
534535  1  0
535536  2  0
538539  1  0
538540  1  0
538541  1  0
538833  1  0
539542  1  0
540548  1  0
541549  1  0
542543  1  0
543544  1  0
544545  1  0
545546  1  0
546547  1  0
548550  1  0
549551  1  0
550556  1  0
551552  1  0
552553  1  0
553554  1  0
554555  1  0
556557  1  0
557558  1  0
558559  1  0
560561  2  0
560565  1  0
560572  1  0
561562  1  0
561563  1  0
562564  2  0
563566  2  0
563579  1  0
564565  1  0
565829  1  0
566567  1  0
566568  1  0
567569  1  0
567570  1  0
568577  2  0
569571  1  0
570580  2  0
570581  1  0
571572  2  0
571576  1  0
572573  1  0
573574  2  0
574575  1  0
575576  2  0
577578  1  0
578579  2  0
581582  1  0
582583  1  0
583584  1  0
583585  2  0
584586  1  0
586587  1  0
587588  1  0
588589  1  0
589590  1  0
590591  1  0
591592  1  0
592593  1  0
593594  1  0
594595  1  0
595596  1  0
596597  1  0
597598  1  0
598599  1  0
599600  1  0
600601  1  0
601602  1  0
602603  1  0
603604  1  0
603605  2  0
604606  1  0
606607  1  0
606608  1  0
607609  1  0
607610  2  0
608614  1  0
608615  1  0
609611  1  0
611612  1  0
611613  1  0
612616  1  0
612617  2  0
613625  1  0
616618  1  0
618619  2  0
618624  1  0
619620  1  0
620621  2  0
621622  1  0
621623  1  0
622624  2  0
623631  1  0
625626  1  0
626627  1  0
627628  1  0
628629  1  0
628630  2  0
631632  1  0
632633  1  0
632634  2  0
633635  1  0
633636  1  0
635637  1  0
635638  1  0
637639  1  0
637640  2  0
638648  1  0
638649  1  0
639641  1  0
641642  1  0
641643  1  0
642644  1  0
642645  2  0
643650  1  0
643651  1  0
644646  1  0
644647  1  0
646652  1  0
646653  1  0
652654  1  0
652655  1  0
653661  1  0
653662  1  0
654656  1  0
655660  1  0
656657  1  0
656658  2  0
657659  1  0
657667  1  0
659664  1  0
659665  1  0
662663  1  0
664666  1  0
665668  1  0
665669  1  0
666667  1  0
668670  1  0
668671  1  0
669684  1  0
670672  1  0
670673  2  0
672674  1  0
674675  1  0
674676  1  0
675677  1  0
675678  1  0
677679  2  0
677683  1  0
679680  1  0
680681  2  0
681682  1  0
682683  2  0
685686  2  0
685689  1  0
685695  1  0
686687  1  0
686690  1  0
687688  2  0
688689  1  0
689824  1  0
690691  2  0
690703  1  0
691692  1  0
691700  1  0
692693  1  0
692704  1  0
693694  1  0
694695  2  0
694699  1  0
695696  1  0
696697  2  0
697698  1  0
698699  2  0
700701  2  0
701702  1  0
702703  2  0
704705  2  0
704706  1  0
706707  1  0
707708  1  0
708709  1  0
708710  2  0
709711  1  0
711712  1  0
712713  1  0
713714  1  0
714715  1  0
715716  1  0
716717  1  0
717718  1  0
718719  1  0
719720  1  0
720721  1  0
721722  1  0
722723  1  0
723724  1  0
724725  1  0
725726  1  0
726727  1  0
727728  1  0
728729  1  0
728730  2  0
729731  1  0
731732  1  0
731736  1  0
732733  1  0
732734  2  0
733735  1  0
735739  1  0
735748  1  0
736737  1  0
736738  1  0
739740  1  0
739741  2  0
740742  1  0
742743  2  0
742747  1  0
743744  1  0
744745  2  0
745746  1  0
745755  1  0
746747  2  0
748749  1  0
749750  1  0
750751  1  0
751752  1  0
752753  1  0
752754  2  0
755756  1  0
756757  1  0
757758  1  0
757759  2  0
758760  1  0
758761  1  0
760762  1  0
760769  1  0
762763  1  0
762764  2  0
763765  1  0
765766  1  0
765772  1  0
766767  1  0
766768  2  0
767775  1  0
767776  1  0
769770  1  0
769771  1  0
772773  1  0
772774  1  0
775777  1  0
775784  1  0
777778  1  0
777782  1  0
778779  1  0
779780  1  0
779781  2  0
780788  1  0
780791  1  0
782783  1  0
784785  1  0
784786  1  0
786787  1  0
788789  1  0
788792  1  0
789790  1  0
790791  1  0
792793  1  0
792807  1  0
793794  1  0
793809  1  0
794795  1  0
794796  2  0
795797  1  0
797798  1  0
797800  1  0
798799  1  0
798801  1  0
799802  2  0
799806  1  0
802803  1  0
803804  2  0
804805  1  0
805806  2  0
807808  1  0
810811  1  0
810816  1  0
810817  1  0
810832  1  0
811812  1  0
812813  1  0
813814  1  0
814815  1  0
815830  1  0
816818  1  0
817819  1  0
818825  1  0
819820  1  0
820821  1  0
821822  1  0
822823  1  0
823824  1  0
825826  1  0
826827  1  0
827828  1  0
828829  1  0
830831  1  0
M  END
>  <s_m_entry_id>  (1) 
101

>  <s_m_entry_name>  (1) 
trastuzumab-MMAE_conjugate_DAR12.1

>  <s_m_Source_Path>  (1) 
D:\Project\ADC

>  <s_m_Source_File>  (1) 
trastuzumab-MMAE_conjugate_DAR12.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <i_f3d_flags>  (1) 
0

>  <chiral flag>  (1) 
0

>  <version>  (1) 
1

>  <r_f3d_energy>  (1) 
0

$$$$
