Trastuzumab-BCN-HydraSpace-vc-PABC-Calicheamicin
     RDKit          2D

277294  0  0  1  0  0  0  0  0999 V2000
  -16.5075   15.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0812   17.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7967   18.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2348   19.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5532   18.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9795   16.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2640   15.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8259   15.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5471   14.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8316   13.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6156   11.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9002   10.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6842    9.2727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4007   10.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9687    7.9543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2532    6.6359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4686    7.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6503    8.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7537    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0383    5.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5388    5.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8233    3.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3238    3.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6084    2.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1089    2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3934    1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3249    3.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8940    1.1646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3945    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8544    2.6641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9335   -0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    2.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3259    3.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419    5.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2574    6.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7569    6.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    7.5982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    8.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4049   10.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883    8.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4723    7.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4038   10.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9054   10.1558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1203   11.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   11.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781   11.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936   10.0766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   12.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931   10.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3085    8.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8080    8.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5920    9.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765   11.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771   11.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0915    9.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    8.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8368   12.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363   12.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518   14.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5513   14.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2667   15.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7662   15.5084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4827   16.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001   -6.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0996   -6.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -7.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6686   -9.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851   -8.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8836   -7.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8150   -5.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3831   -7.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0985   -6.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5980   -6.5082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3145   -5.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3135   -5.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5295   -3.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2449   -2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7444   -2.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5284   -3.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8129   -5.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4599   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6759    0.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1671   -9.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6665   -9.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4505  -10.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9500  -10.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7340  -11.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1985  -11.9479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7208  -12.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630   -1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475   -2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5315   -4.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310   -4.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -5.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4138   -9.5008    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   28.9689   -2.9776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8049    8.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0209    7.1629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.7004    3.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1513    5.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7245    1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024    5.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6483    0.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0731    1.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6463   -2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5461   -0.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9709   -0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7618   -3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3877  -10.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8990   11.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3636   -8.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3095  -14.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3596  -14.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3115  -11.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3059    9.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9929   -4.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4178   -3.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3656   -6.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6683    4.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7531    5.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0905    9.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5982    1.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6964   -2.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7368    7.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1754    3.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1493    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6242    2.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1252    3.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6764    4.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1994    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6724   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1974   -1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1734    0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2235   -0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6002    4.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0471    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5220    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4959   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9949   -1.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2034    7.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5200   -2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2215   -2.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6704   -3.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0136    8.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0190   -3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4094   -3.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5878    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7205   -4.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0888   11.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5208    8.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1694   -5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7029    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5894   11.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8054    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3356  -12.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8606  -13.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8366  -11.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8867  -12.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0884    9.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8626  -10.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4679   -4.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3252   11.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4418   -5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9393    8.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3044    8.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4118  -12.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9408   -6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3897   -7.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9168   -5.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8907   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4523    5.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9148   -8.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4403    9.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8247   11.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0145   10.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8085  -15.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4659   -7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5214    7.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8927   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3396   -7.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3837    3.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0219    7.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    5.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5610    8.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3064    8.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9855  -16.1905    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6138  -10.1844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5378    5.3176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0383    5.2780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0524    0.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1027    0.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5436   -0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9869    2.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2009   -2.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3167   -4.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2665   -4.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9238   -6.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5483   -8.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3528   -6.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5507  -19.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1126    7.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9436  -17.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9261  -18.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0747  -21.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0328  -16.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2604    8.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1050  -10.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7296  -11.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8781  -14.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2818    4.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2326    2.8796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8558    1.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2840   -3.3432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1834   -4.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4968    5.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5939   -0.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1682   -1.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7097   -1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6770   -0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5612    0.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0852   -0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6922   -3.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1507   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6594   -2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5764   -1.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2185   -1.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8910   -5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4325   -6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0068   -7.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0395   -8.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4454    2.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4980   -8.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6419   -3.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7577   -5.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5628    4.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5308   -9.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1589   -6.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5367    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6747   -4.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9952    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9962    5.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7904   -6.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2294    1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2112    7.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7117    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4676  -18.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0419  -20.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4349  -17.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5834  -20.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7527    6.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9764  -18.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6466  -11.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3811    5.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2208  -12.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6153    0.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2532    6.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1577  -22.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2536  -13.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3694  -15.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7623  -13.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3366  -14.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7813    4.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8279  -15.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0738    1.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1651    3.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0478    2.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9589  -19.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7121  -13.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3228    3.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2711  -12.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4524  -16.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2686    3.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6073    2.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6412    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2167    4.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3913    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  8  1  0
  1  9  1  0
  2  3  1  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  2  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
 28 31  2  0
 29 32  1  0
 29 90  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 39 43  1  0
 39 44  2  0
 40 41  1  0
 40 42  1  0
 43 45  1  0
 45 46  1  0
 45 57  1  0
 46 47  1  0
 46 48  2  0
 47 49  1  0
 49 54  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 52 55  1  0
 53 54  2  0
 55 56  1  0
 56186  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 61 63  2  0
 64 65  1  0
 64 66  1  0
 64 95  1  0
 65 69  1  0
 65 70  2  0
 66 67  1  0
 66 68  1  0
 69 71  1  0
 71 72  1  0
 71 83  1  0
 72 73  1  0
 72 74  2  0
 73 75  1  0
 75 80  1  0
 75 76  2  0
 76 77  1  0
 77 78  2  0
 78 79  1  0
 78 81  1  0
 79 80  2  0
 81 82  1  0
 82277  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  1  0
 87 89  2  0
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  2  0
 93 95  1  0
 96173  1  0
 97140  1  0
 97162  1  0
 98 99  1  0
 98166  1  0
 99179  1  0
100126  1  0
100131  1  0
101129  1  0
101130  1  0
102131  1  0
102135  1  0
103130  1  0
103141  1  0
104127  1  0
105123  1  0
105137  1  0
106132  1  0
106147  1  0
107137  1  0
107142  1  0
108139  1  0
109144  2  0
110159  1  0
110161  1  0
111150  1  0
112161  1  0
112169  1  0
113156  1  0
113177  1  0
114157  1  0
115158  1  0
116155  2  0
117162  2  0
118170  1  0
118180  1  0
119171  1  0
119181  1  0
120172  1  0
120182  1  0
121172  2  0
122186  2  0
123128  1  0
124133  1  0
124143  1  0
124144  1  0
125151  1  0
125172  1  0
126127  1  0
126130  1  0
127128  1  0
128129  1  0
129136  1  0
131134  1  0
132133  1  0
132134  1  0
133135  1  0
137138  1  0
138139  1  0
139140  1  0
140142  1  0
141145  1  0
141153  1  0
142146  1  0
143149  1  0
144152  1  0
145148  1  0
145151  2  0
148150  1  0
148160  2  0
150154  1  0
150163  1  0
151155  1  0
153165  3  0
154155  1  0
156157  1  0
156158  1  0
157159  1  0
158161  1  0
159167  1  0
160166  1  0
162164  1  0
163175  3  0
164168  2  0
164170  1  0
165174  1  0
168173  1  0
168178  1  0
169171  1  0
169173  2  0
170171  2  0
174176  2  0
175176  1  0
179183  1  0
179184  1  0
179185  1  0
183186  1  0
187264  1  0
188231  1  0
188253  1  0
189190  1  0
189257  1  0
190270  1  0
191217  1  0
191222  1  0
192220  1  0
192221  1  0
193222  1  0
193226  1  0
194221  1  0
194232  1  0
195218  1  0
196214  1  0
196228  1  0
197223  1  0
197238  1  0
198228  1  0
198233  1  0
199230  1  0
200235  2  0
201250  1  0
201252  1  0
202241  1  0
203252  1  0
203260  1  0
204247  1  0
204268  1  0
205248  1  0
206249  1  0
207246  2  0
208253  2  0
209261  1  0
209271  1  0
210262  1  0
210272  1  0
211263  1  0
211273  1  0
212263  2  0
213277  2  0
214219  1  0
215224  1  0
215234  1  0
215235  1  0
216242  1  0
216263  1  0
217218  1  0
217221  1  0
218219  1  0
219220  1  0
220227  1  0
222225  1  0
223224  1  0
223225  1  0
224226  1  0
228229  1  0
229230  1  0
230231  1  0
231233  1  0
232236  1  0
232244  1  0
233237  1  0
234240  1  0
235243  1  0
236239  1  0
236242  2  0
239241  1  0
239251  2  0
241245  1  0
241254  1  0
242246  1  0
244256  3  0
245246  1  0
247248  1  0
247249  1  0
248250  1  0
249252  1  0
250258  1  0
251257  1  0
253255  1  0
254266  3  0
255259  2  0
255261  1  0
256265  1  0
259264  1  0
259269  1  0
260262  1  0
260264  2  0
261262  2  0
265267  2  0
266267  1  0
270274  1  0
270275  1  0
270276  1  0
274277  1  0
M  END
>  <s_m_entry_id>  (1) 
20

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
