cxy0179
     RDKit          3D

253276  0  0  1  0  0  0  0  0999 V2000
  -12.0984    3.3731    2.2946 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.9215    4.2299    1.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290    3.6302    4.6690 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3079    5.0007    3.1963 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5775    3.4050    6.1244 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1381    4.2201    4.3122 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5965    5.7084    3.0276 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8232   -3.8429   11.5302 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6031    5.4129    4.4015 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7785   -2.7672   10.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812    2.8193    6.9155 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2706    4.2923    5.3107 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.8443    6.5886    4.6443 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.4906    7.0655    3.8553 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.0597    9.7118    3.7586 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6372    5.1985    4.9557 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8471    8.1856    3.9652 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6352   -0.3797    8.9305 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4794   10.6796    4.8950 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7022   -1.9528    8.7472 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7004    0.3505    7.8334 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3801    7.7193    5.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    4.2960    0.0242 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6608    6.9619    3.0075 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9991    6.1551    2.7937 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4997   -2.5114    7.2485 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6187   -0.7077    7.6075 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2849    4.5581    1.5591 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0852    8.1157    2.0752 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7995    8.7437    3.1826 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4773   -0.7667    8.6307 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6195    9.1633    4.6467 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9844   -5.4832    6.9139 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5264    8.6563    1.5973 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0114   -6.9856    6.8580 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9115   -4.6348    5.9236 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4477   -5.7975    4.7541 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8865   -7.7061    6.0620 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3515   -8.9649    6.6211 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3538   -5.6948  -12.2002 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8896   -9.8136   -7.4390 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1064   -6.8356  -10.9965 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6504   -4.2967  -11.6669 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3577   -9.0269   -6.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0883   -5.9144    1.9344 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2122   -5.1140    1.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8794   -6.3770    1.0041 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0472    0.4930   -6.6093 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5385   -4.4223  -10.4436 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5790   -6.6631   -9.4521 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8039   -9.4332   -6.9153 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7513   -0.1620   -5.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9730   -4.0815  -10.5387 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8070   -5.7152   -0.4292 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9669   -8.6992   -5.8362 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0602   -8.5374   -7.4411 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0548   -4.5869   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -5.5110   -1.3690 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9769   -2.6006   -3.0890 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6716   -7.5557   -5.1057 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8998   -8.0924   -6.2125 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2693   -1.2389   -3.2256 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9690   -2.7425   -2.0454 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2758   -3.1323    3.0597 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2580   -8.7653   -6.0720 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8299   -3.2193    1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2451   -0.4805   -1.8832 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6711   -1.3203   -1.9224 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7257   -0.9079   -2.8247 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6768   -4.7524   -3.4137 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3403   -5.7356   -4.5829 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0128   -0.4903   -0.2124 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7377   -1.1362    0.9456 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6097   -0.4021    0.0082 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1051   -5.4152   -5.9137 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1615   -0.3348    1.4264 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4171   -0.6844    2.2719 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2625   -3.3910   -4.9117 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2511   -4.4473   -5.9739 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8130   -0.3695    1.7244 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8219   -2.0397   -5.1427 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0542   -0.0234    1.8668 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2451   -0.9992    1.3004 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4920   -0.8114    2.0099 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.0778   -2.4030    1.8397 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9707   -2.5533    2.8752 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.2914   -3.1195    4.3853 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.0493    3.8757    0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920    3.9068    3.8728 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.5787    5.4127    2.1770 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5361    3.7108    6.6937 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5034    4.5087    3.1308 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.6070    5.4494    2.0155 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4458   10.1033    2.6128 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0012   -2.1158   11.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8193    0.0731   10.1636 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.3972    6.3086    4.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0364   11.8108    5.7239 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.0394    3.2063    6.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9623    7.7021    3.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053   -2.9248    9.5920 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1052    1.6375    7.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5728    6.5999    4.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9871    7.5575    4.2895 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.0912   -4.8000    7.3084 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4712    7.5083    7.1939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461    5.1811    2.6995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770    7.5056    3.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9136   -7.7022    7.6023 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7413   -4.0298    6.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1311   -1.9041    6.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8018    8.9320    1.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576   -0.8312    9.6190 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7071   -6.1091  -13.3607 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5945   -9.9916    7.2560 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9469   -6.7946    5.6183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989   -5.5629    3.4253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9425   -8.0611  -11.3491 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0287  -10.7522   -6.6888 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7481   -3.2644  -12.5354 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.5175   -8.7488   -5.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2979   -5.3442    1.8270 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4270   -7.5836    1.1200 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9304   -0.4350   -5.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3080   -3.7179  -10.8834 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.2137   -9.3019   -5.4336 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2911   -3.2694   -4.1168 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7360   -7.3509   -8.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0423   -5.2778   -9.2994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -5.0040   -0.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -0.3617   -4.2160 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8789   -3.4498   -0.7002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -4.3729    1.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -5.1800   -2.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413   -6.3796   -4.5476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -7.7779   -5.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981    0.6627   -0.4340 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.7412   -9.1328   -6.0778 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5043   -2.2474    0.6661 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7121   -0.2692   -1.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236   -1.1576   -0.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950   -3.6072   -3.7212 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018   -5.6037   -6.9797 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.8980   -0.5124   -3.6506 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.4278    0.6028    2.8975 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1000   -0.3827    2.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4317   -0.5813    0.9918 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1723   -0.6635   -5.5912 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1835   -4.4428   -6.9587 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1728    0.0107    2.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1282   -3.2042    1.9574 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6813   -2.0605    2.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0668    9.0366    5.4123 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.6856    4.4503   -3.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955    3.5342   -2.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2609    1.6884   -0.7231 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8959    5.9621   -4.8647 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7393    0.4192   -0.5939 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5538    2.2397   -2.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6928    4.5670   -4.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2319    6.5360   -6.1132 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4561   -0.3068   -1.6950 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3588    5.6371   -7.1436 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4765    1.4067   -3.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    3.6825   -5.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8628    0.1920   -2.9500 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0902    4.2786   -6.8210 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8168    1.8668   -4.3865 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.9678   -2.9130  -11.7393 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.2889    1.5855   -6.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -1.9552  -10.3310 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8777   -1.0285   -8.1629 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0935   -0.5790  -11.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814   -2.6828   -6.0787 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0185    0.2003   -7.2849 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6631   -1.9196   -9.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.0901  -11.4591 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.6312   -2.0210   -9.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725   -3.0623   -7.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3372   -3.0135   -4.7341 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6377   -1.2732  -12.5308 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.2499   -3.4509   -6.4070 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.1307   -3.5477   -4.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0465   -3.5779   -5.0192 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6695   -4.4061   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695    0.1191  -13.5740 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.7274   -2.6165  -13.5766 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.0934   -4.0430   -2.8024 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3726    6.2373    5.0725 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3643   -0.2781    4.7084 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6726   -4.0211    2.1952 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8867    8.5356    3.0563 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.0051   -6.7940   -0.2452 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4873    7.2954    4.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    5.6252    6.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615   -1.7124    4.3962 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1479   -3.7420    3.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275   -5.1269    1.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    9.6667    3.2131 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9913   10.2324    2.2572 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4807   -6.9644   -0.7003 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5471    7.7010    5.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737    6.0013    7.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -4.2871    6.2612 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.0214   -4.2770    3.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528   -5.8002    1.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3751   -7.9371   -1.7555 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3853    6.9733    6.8786 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4950   -5.3304    3.1518 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0086   10.8772    3.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988    9.0280    5.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470   -7.2370    1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3430   -8.9036   -1.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469   10.6594    4.4331 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4477   -9.4710   -2.3775 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0674   -8.7119   -0.0996 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2987    6.3272    9.3227 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.5707  -10.3569   -1.8275 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8278    5.4437   -1.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    4.3899   -1.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2383    5.5925   -2.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777    2.2160   -5.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350    0.0322  -12.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6326   -3.1645   -8.3539 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.0824   -1.1640  -10.2156 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.7724    2.1924   -7.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1127   -0.6386  -10.5738 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.3227   -2.9762   -9.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4488   -1.0389   -8.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1778   -4.8438   -1.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158   -3.2962    0.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7989   -7.6734    0.2425 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.7973    7.9307    3.4625 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    5.1678    6.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1238   -5.5015    0.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0805   -2.9790    4.3024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   10.5680    3.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -6.0417   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    9.7641    4.5546 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245    5.6009    8.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563   -4.0202    5.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578   -7.6024    0.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    9.6672    6.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517   -8.0827    2.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.0220    3.2201 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.6949    0.1052    2.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549    1.3382    3.3377 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.6320   -0.5466    2.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   11.1040    2.7772 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6142   12.2869    2.7011 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2463    1.0643    5.4555 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4540    2.3384    6.3059 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4931    3.7889    6.6710 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  1  0
  2 88  2  0
  2 93  1  0
  3  5  1  0
  3  6  1  0
  3 89  1  0
  4  7  1  0
  4  9  1  0
  4 90  1  0
  5 11  1  0
  5 91  1  0
  6 12  1  0
  6 92  1  0
  7 14  1  0
  7 93  1  0
  8 10  1  0
  9 13  1  0
 10 95  2  0
 10101  1  0
 11 99  1  0
 11102  1  0
 12 16  1  0
 12 99  1  0
 13 22  1  0
 13 97  1  6
 13100  1  0
 14 17  1  0
 14100  1  0
 14103  1  1
 15 17  1  0
 15 19  1  0
 15 94  1  0
 16 97  1  0
 17104  1  0
 18 20  1  0
 18 21  1  0
 18 96  1  0
 19 98  1  0
 20 26  1  0
 20101  1  0
 21 27  1  0
 21102  1  0
 22106  2  0
 22153  1  0
 23 28  1  0
 24 25  1  0
 24108  1  0
 25107  1  0
 26110  1  0
 26111  1  0
 27 31  1  0
 27111  1  0
 28107  1  0
 29 34  1  0
 29108  1  0
 30 32  1  0
 30112  1  0
 31113  1  0
 33 35  1  0
 33 36  1  0
 33105  1  0
 34112  1  0
 35 38  1  0
 35109  1  0
 36 37  1  0
 36110  1  0
 37116  1  0
 37117  1  0
 38 39  1  0
 38116  1  0
 39115  1  0
 40 42  1  0
 40 43  1  0
 40114  1  0
 41 44  1  0
 42 50  1  0
 42118  1  0
 43 49  1  0
 43120  1  0
 44121  2  0
 44126  1  0
 45 46  1  0
 45 47  1  0
 45117  1  0
 46 57  2  0
 46122  1  0
 47 54  1  0
 47123  1  0
 48 52  1  0
 49 53  1  0
 49129  1  0
 50128  1  0
 50129  1  0
 51 55  1  0
 51 56  1  0
 51119  1  0
 52124  2  0
 52131  1  0
 53125  1  0
 54 58  1  0
 54130  1  0
 55 60  1  0
 55126  1  0
 56 61  1  0
 56128  1  0
 57130  1  0
 57132  1  0
 58134  1  0
 59 62  1  0
 59 63  1  0
 59127  1  0
 60135  1  0
 60136  1  0
 61 65  1  0
 61136  1  0
 62 67  1  0
 62131  1  0
 63 68  1  0
 63132  1  0
 64 66  1  0
 65138  1  0
 66133  2  0
 66139  1  0
 67140  1  0
 67141  1  0
 68 69  1  0
 68140  1  0
 69144  1  0
 70 71  1  0
 70134  1  0
 70142  1  0
 71 75  1  0
 71135  1  0
 72 73  1  0
 72 74  1  0
 72137  1  0
 73 77  1  0
 73139  1  0
 74 76  1  0
 74141  1  0
 75 79  1  0
 75143  1  0
 76 80  1  0
 76146  1  0
 77146  1  0
 77245  1  0
 78 79  1  0
 78 81  1  0
 78142  1  0
 79149  1  0
 80150  1  0
 81148  1  0
 82 83  1  0
 82 84  1  0
 82145  1  0
 83 85  1  0
 83147  1  0
 84150  1  0
 84152  1  0
 85 86  1  0
 85151  1  0
 86 87  1  0
 86152  1  0
153 32  1  0
154155  2  0
154160  1  0
154221  1  0
155159  1  0
155220  1  0
156158  2  0
156159  1  0
157160  2  0
157161  1  0
158162  1  0
159164  2  0
160165  1  0
161163  2  0
162166  2  0
163167  1  0
164166  1  0
164168  1  0
165167  2  0
165222  1  0
168222  1  0
170175  1  0
170222  1  0
170226  2  0
171169  1  0
171178  1  0
171227  1  0
172175  1  0
172176  1  0
173223  2  0
173227  1  0
174179  2  0
174180  1  0
176225  1  0
176228  2  0
177173  1  0
177181  1  0
178224  1  0
178229  2  0
179182  1  0
179224  1  0
180183  2  0
181186  1  0
181187  1  0
182184  2  0
183184  1  0
183188  1  0
185230  1  0
185231  2  0
185235  1  0
188230  1  0
189194  2  0
189195  1  0
190196  1  0
190251  1  0
191197  2  0
191198  1  0
192199  1  0
192233  2  0
193201  1  0
193232  1  0
193235  1  0
194202  1  0
194233  1  0
195203  2  0
195234  1  0
196236  1  0
197205  1  0
197236  1  0
198206  2  0
198235  1  0
199200  1  0
199237  1  1
199239  1  0
200210  1  0
201207  1  0
201238  1  6
201242  1  0
202208  2  0
202211  1  0
203208  1  0
203240  1  0
204241  1  0
205209  2  0
205241  1  0
206209  1  0
206212  1  0
207213  1  0
210214  1  0
210249  1  0
211239  1  0
211243  2  0
212242  1  0
212244  2  0
213215  1  0
213216  1  0
213218  1  0
214239  1  0
215218  1  0
216242  1  0
217240  1  0
219220  1  0
219221  2  0
220 23  1  0
225177  1  0
245246  1  0
246247  1  0
248246  2  0
249250  1  0
250210  1  0
251252  1  0
252253  1  0
253234  1  0
M  RAD  8   1   2   3   2   4   2   5   2   6   2   7   2   8   2   9   3
M  RAD  8  11   2  12   2  15   2  16   3  17   2  18   2  19   3  20   2
M  RAD  8  21   2  23   3  24   3  25   3  26   2  27   2  28   3  29   3
M  RAD  8  30   3  31   3  32   3  33   2  34   3  35   2  36   2  37   2
M  RAD  8  38   2  39   3  40   2  41   2  42   2  43   2  45   2  47   2
M  RAD  8  48   2  49   2  50   2  51   2  53   3  54   2  55   2  56   2
M  RAD  8  58   3  59   2  60   2  61   2  62   2  63   2  64   2  65   3
M  RAD  8  67   2  68   2  69   3  70   2  71   2  72   2  73   2  74   2
M  RAD  8  75   2  76   2  77   2  78   2  79   2  80   3  81   3  82   2
M  RAD  8  83   2  84   2  85   2  86   2  87   2  89   2  90   2  91   2
M  RAD  8  92   2  93   2  94   2  96   2  98   2 101   2 104   2 105   2
M  RAD  8 109   2 113   2 114   2 115   2 118   2 119   2 120   2 122   2
M  RAD  8 123   2 125   2 126   2 127   2 131   2 137   2 138   2 139   2
M  RAD  8 143   2 144   2 145   2 147   2 148   2 149   2 151   2 153   2
M  RAD  8 156   2 157   2 158   2 161   2 162   2 163   2 166   2 167   2
M  RAD  8 168   3 169   2 171   2 172   3 174   2 175   3 177   2 180   2
M  RAD  8 181   2 182   2 184   2 186   2 187   2 188   3 189   2 190   3
M  RAD  8 191   2 192   2 193   2 196   3 200   3 204   2 207   3 208   2
M  RAD  8 209   2 214   3 215   3 216   3 217   2 218   3 224   2 225   2
M  RAD  8 227   2 232   2 245   2 247   2 249   3 250   3 251   3 252   3
M  RAD  1 253   3
M  END
$$$$
