Brentuximab-8
                    3D
 Structure written by MMmdl.
362365  0  0  1  0            999 V2000
   17.2253  -12.0195  -11.9946 O   0  0  0  0  0  0
   15.6076  -17.1299  -13.5526 O   0  0  0  0  0  0
   17.3516  -15.3777  -12.7232 O   0  0  0  0  0  0
   20.7278  -14.0773  -10.6516 O   0  0  0  0  0  0
   14.2045  -14.8079  -16.9394 O   0  0  0  0  0  0
   23.8888  -10.7899  -12.4877 O   0  0  0  0  0  0
   10.8779  -15.6991  -13.2945 O   0  0  0  0  0  0
    9.0758  -11.4701  -11.0853 O   0  0  0  0  0  0
   11.2615  -10.9043  -11.3536 O   0  0  0  0  0  0
    0.9588   -6.7419   -6.7065 O   0  0  0  0  0  0
    2.9763   -7.8684  -10.9463 O   0  0  0  0  0  0
   -1.7207   -3.6395   -9.2582 O   0  0  0  0  0  0
   -2.7227  -11.0560  -12.2748 O   0  0  0  0  0  0
   17.8694  -13.7222  -14.1933 N   0  0  0  0  0  0
   13.8625  -16.6355  -15.6723 N   0  0  0  0  0  0
   21.7087  -12.3210  -11.6595 N   0  0  0  0  0  0
   12.1057  -14.3274  -14.5881 N   0  0  0  0  0  0
   10.4577  -13.1030  -11.9276 N   0  0  0  0  0  0
    1.0823   -6.7619   -8.9530 N   0  0  0  0  0  0
   -0.7282   -4.4023   -7.3885 N   0  0  0  0  0  0
    3.6012   -8.9819   -9.0937 N   0  0  0  0  0  0
   -1.7543  -10.7529  -10.2652 N   0  0  0  0  0  0
   -1.6806  -12.7503  -11.2206 N   0  0  0  0  0  0
   18.8559  -13.0355  -13.3523 C   0  0  1  0  0  0
   19.0938  -11.7327  -14.1136 C   0  0  0  0  0  0
   18.3629  -12.7997  -11.9554 C   0  0  1  0  0  0
   18.8220  -12.0925  -15.5681 C   0  0  0  0  0  0
   17.6692  -13.0926  -15.5007 C   0  0  0  0  0  0
   19.4245  -12.0965  -11.1626 C   0  0  1  0  0  0
   17.1995  -14.8278  -13.8180 C   0  0  0  0  0  0
   15.1658  -17.2665  -15.8592 C   0  0  2  0  0  0
   16.1085  -16.7921  -14.7933 C   0  0  1  0  0  0
   16.2568  -15.3022  -14.8839 C   0  0  0  0  0  0
   15.7103  -16.8993  -17.2078 C   0  0  2  0  0  0
   18.9315  -11.8607   -9.7657 C   0  0  0  0  0  0
   20.6610  -12.9446  -11.1200 C   0  0  0  0  0  0
   14.7675  -17.3737  -18.2738 C   0  0  0  0  0  0
   17.0492  -17.5477  -17.3999 C   0  0  0  0  0  0
   13.4784  -15.4779  -16.2109 C   0  0  0  0  0  0
   16.1702  -12.5617  -12.6998 C   0  0  0  0  0  0
   12.0771  -15.1167  -15.8160 C   0  0  2  0  0  0
   13.0478  -17.4766  -14.8003 C   0  0  0  0  0  0
   23.0563  -12.8711  -11.7735 C   0  0  1  0  0  0
   15.3120  -17.0066  -19.6224 C   0  0  0  0  0  0
   11.4400  -14.3142  -16.9115 C   0  0  0  0  0  0
   15.4253  -18.4821  -13.3457 C   0  0  0  0  0  0
   23.8134  -12.1243  -12.8314 C   0  0  2  0  0  0
   23.7658  -12.7327  -10.4591 C   0  0  0  0  0  0
   12.2335  -13.0620  -17.1404 C   0  0  0  0  0  0
   10.0387  -13.9530  -16.5166 C   0  0  0  0  0  0
   11.5192  -14.6625  -13.4385 C   0  0  0  0  0  0
   25.1979  -12.6894  -12.9485 C   0  0  0  0  0  0
   11.7442  -13.6284  -12.3754 C   0  0  2  0  0  0
   12.4609  -14.2523  -11.2147 C   0  0  0  0  0  0
   26.2282  -12.1706  -12.1734 C   0  0  0  0  0  0
   25.4504  -13.7320  -13.8322 C   0  0  0  0  0  0
   12.6858  -13.2182  -10.1517 C   0  0  0  0  0  0
   13.7826  -14.7921  -11.6748 C   0  0  0  0  0  0
   27.5110  -12.6942  -12.2819 C   0  0  0  0  0  0
   26.7332  -14.2557  -13.9408 C   0  0  0  0  0  0
    9.2700  -13.9512  -11.9646 C   0  0  0  0  0  0
   10.3592  -11.7293  -11.4427 C   0  0  0  0  0  0
   27.7635  -13.7368  -13.1656 C   0  0  0  0  0  0
    9.0024  -10.1693  -10.6303 C   0  0  0  0  0  0
    7.5908   -9.8590  -10.2288 C   0  0  0  0  0  0
    6.8996   -8.8303  -10.8577 C   0  0  0  0  0  0
    6.9742  -10.6001   -9.2277 C   0  0  0  0  0  0
    0.5856   -4.6954   -7.9538 C   0  0  1  0  0  0
    1.6275   -3.8808   -7.2461 C   0  0  0  0  0  0
    1.3955   -8.1765   -9.1327 C   0  0  1  0  0  0
    5.5917   -8.5428  -10.4856 C   0  0  0  0  0  0
    5.6664  -10.3126   -8.8556 C   0  0  0  0  0  0
    4.9751   -9.2839   -9.4846 C   0  0  0  0  0  0
    0.3242   -8.8248   -9.9585 C   0  0  0  0  0  0
    0.8897   -6.1542   -7.7819 C   0  0  0  0  0  0
    2.7159   -8.3114   -9.8316 C   0  0  0  0  0  0
   -0.9962   -8.6900   -9.2597 C   0  0  0  0  0  0
    1.6236   -4.2237   -5.7859 C   0  0  0  0  0  0
    1.3235   -2.4220   -7.4180 C   0  0  0  0  0  0
   -1.7673   -3.9065   -8.0610 C   0  0  0  0  0  0
   -2.0675   -9.3383  -10.0855 C   0  0  0  0  0  0
   -2.0941  -11.4910  -11.3168 C   0  0  0  0  0  0
   -2.9671   -3.7250   -7.1792 C   0  0  0  0  0  0
   -3.0597   -4.4211   -5.9799 C   0  0  0  0  0  0
   -4.1714   -4.2528   -5.1628 C   0  0  0  0  0  0
   -5.1904   -3.3885   -5.5452 C   0  0  0  0  0  0
   -5.0977   -2.6924   -6.7445 C   0  0  0  0  0  0
   -3.9861   -2.8606   -7.5616 C   0  0  0  0  0  0
   -6.3582   -3.2117   -4.6869 N   0  0  0  0  0  0
   -7.6926   -2.0799   -5.1875 P   0  0  1  0  0  0
   -8.8356   -1.9749   -4.2390 O   0  0  0  0  0  0
   -6.8398   -0.5963   -5.5026 O   0  0  0  0  0  0
   -8.1196   -2.6788   -6.8958 C   0  0  0  0  0  0
   -8.3970   -3.0717   -8.0182 C   0  0  0  0  0  0
   -6.2721   -0.0030   -4.3935 C   0  0  0  0  0  0
   -4.7884    0.1024   -4.5872 C   0  0  0  0  0  0
   -4.2207    0.6957   -3.4781 O   0  0  0  0  0  0
   -2.8505    0.8496   -3.5361 C   0  0  0  0  0  0
   -2.3669    1.5026   -2.2753 C   0  0  0  0  0  0
   -2.4912    0.6189   -1.2226 O   0  0  0  0  0  0
   -2.0762    1.1062   -0.0000 C   0  0  0  0  0  0
   -0.5832    1.2507   -0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0
    1.3800    0.0000    0.0000 C   0  0  0  0  0  0
    1.8800   -1.4142    0.0000 C   0  0  0  0  0  0
    3.2600   -1.4142    0.0000 O   0  0  0  0  0  0
    3.8432   -2.6649    0.0000 C   0  0  0  0  0  0
    5.3362   -2.5204    0.0000 C   0  0  0  0  0  0
    5.9194   -3.7711    0.0000 O   0  0  0  0  0  0
    7.2994   -3.7711    0.0000 C   0  0  0  0  0  0
    7.7994   -5.1853    0.0000 C   0  0  0  0  0  0
    7.5332   -5.7673    1.2226 O   0  0  0  0  0  0
    7.9482   -7.0775    1.3476 C   0  0  0  0  0  0
    7.0920   -7.9575    0.4859 C   0  0  0  0  0  0
    7.3738   -7.7146   -0.8430 O   0  0  0  0  0  0
    6.6454   -8.4681   -1.7408 C   0  0  0  0  0  0
    7.0922   -9.8983   -1.6717 C   0  0  0  0  0  0
    8.3624  -10.0094   -2.1998 O   0  0  0  0  0  0
    8.8874  -11.2856   -2.1927 C   0  0  0  0  0  0
   10.2629  -11.2637   -2.7906 C   0  0  0  0  0  0
   10.7879  -12.5399   -2.7834 O   0  0  0  0  0  0
   12.0580  -12.6510   -3.3115 C   0  0  0  0  0  0
   13.0423  -11.9954   -2.3888 C   0  0  0  0  0  0
   13.1656  -12.7474   -1.2383 O   0  0  0  0  0  0
   14.0487  -12.2444   -0.3046 C   0  0  0  0  0  0
   14.0861  -13.1528    0.8884 C   0  0  0  0  0  0
   14.9691  -12.6499    1.8220 O   0  0  0  0  0  0
   15.0925  -13.4019    2.9726 C   0  0  0  0  0  0
   16.0767  -12.7463    3.8953 C   0  0  0  0  0  0
   16.2000  -13.4982    5.0458 O   0  0  0  0  0  0
   25.3521  -20.2298    7.2024 O   0  0  0  0  0  0
   24.1659  -20.3008    7.9040 C   0  0  0  0  0  0
   23.0606  -20.7119    6.9770 C   0  0  0  0  0  0
   21.8744  -20.7829    7.6786 O   0  0  0  0  0  0
   21.7907  -21.8255    8.5788 C   0  0  0  0  0  0
   20.4591  -21.7854    9.2681 C   0  0  0  0  0  0
   20.3754  -22.8280   10.1683 O   0  0  0  0  0  0
   19.1892  -22.8990   10.8698 C   0  0  0  0  0  0
   19.2316  -24.0698   11.8066 C   0  0  0  0  0  0
   20.1277  -23.8125   12.8241 O   0  0  0  0  0  0
   20.2568  -24.8216   13.7566 C   0  0  0  0  0  0
   21.2551  -24.4141   14.7993 C   0  0  0  0  0  0
   20.7246  -23.4024   15.5736 O   0  0  0  0  0  0
   21.5533  -22.9386   16.5749 C   0  0  0  0  0  0
   20.8576  -21.8483   17.3347 C   0  0  0  0  0  0
   20.7511  -20.7274   16.5368 O   0  0  0  0  0  0
   20.1250  -19.6486   17.1272 C   0  0  0  0  0  0
   18.6647  -19.9480   17.2943 C   0  0  0  0  0  0
   18.0386  -18.8692   17.8848 O   0  0  0  0  0  0
   16.6832  -19.0237   18.0929 C   0  0  0  0  0  0
   16.1318  -17.7861   18.7365 C   0  0  0  0  0  0
   16.1448  -16.7493   17.8258 O   0  0  0  0  0  0
   15.6585  -15.5487   18.3019 C   0  0  0  0  0  0
   15.7294  -14.5151   17.2172 C   0  0  0  0  0  0
   14.8008  -14.8096   16.2397 O   0  0  0  0  0  0
   14.7686  -13.9256   15.1805 C   0  0  0  0  0  0
   13.7224  -14.3608   14.1977 C   0  0  0  0  0  0
   14.1358  -15.5166   13.5673 O   0  0  0  0  0  0
   13.2528  -16.0196   12.6337 C   0  0  0  0  0  0
   13.2154  -15.1112   11.4406 C   0  0  0  0  0  0
   14.4092  -15.2034   10.7546 O   0  0  0  0  0  0
   14.4981  -14.4094    9.6294 C   0  0  0  0  0  0
   15.8378  -14.6054    8.9837 C   0  0  0  0  0  0
   15.9267  -13.8115    7.8585 O   0  0  0  0  0  0
   17.1205  -13.9037    7.1725 C   0  0  0  0  0  0
   17.0831  -12.9953    5.9794 C   0  0  0  0  0  0
   23.4443  -10.5500  -11.6246 H   0  0  0  0  0  0
   21.6983  -11.3918  -12.0552 H   0  0  0  0  0  0
   12.6413  -13.4866  -14.7500 H   0  0  0  0  0  0
    1.0350   -6.3179   -9.8589 H   0  0  0  0  0  0
   -0.7229   -4.6356   -6.4059 H   0  0  0  0  0  0
    3.4296   -9.3628   -8.1742 H   0  0  0  0  0  0
   -1.2388  -11.0794   -9.4630 H   0  0  0  0  0  0
   -1.1628  -13.1390  -10.4481 H   0  0  0  0  0  0
   -1.8344  -13.4715  -11.9088 H   0  0  0  0  0  0
   19.7715  -13.6282  -13.2987 H   0  0  0  0  0  0
   20.0969  -11.3333  -13.9556 H   0  0  0  0  0  0
   18.3840  -10.9741  -13.7769 H   0  0  0  0  0  0
   18.1318  -13.7557  -11.4855 H   0  0  0  0  0  0
   19.7008  -12.5713  -16.0052 H   0  0  0  0  0  0
   18.5856  -11.2226  -16.1830 H   0  0  0  0  0  0
   16.7076  -12.5747  -15.5204 H   0  0  0  0  0  0
   17.6936  -13.8067  -16.3273 H   0  0  0  0  0  0
   19.6556  -11.1405  -11.6325 H   0  0  0  0  0  0
   15.0580  -18.3492  -15.7934 H   0  0  0  0  0  0
   17.0815  -17.2632  -14.9329 H   0  0  0  0  0  0
   16.6525  -15.0354  -15.8639 H   0  0  0  0  0  0
   15.2838  -14.8311  -14.7444 H   0  0  0  0  0  0
   15.8180  -15.8167  -17.2737 H   0  0  0  0  0  0
   19.7029  -11.3497   -9.1896 H   0  0  0  0  0  0
   18.0330  -11.2444   -9.7966 H   0  0  0  0  0  0
   18.7004  -12.8167   -9.2957 H   0  0  0  0  0  0
   13.7945  -16.9026  -18.1342 H   0  0  0  0  0  0
   14.6598  -18.4564  -18.2079 H   0  0  0  0  0  0
   16.9414  -18.6303  -17.3340 H   0  0  0  0  0  0
   17.4449  -17.2809  -18.3799 H   0  0  0  0  0  0
   17.7343  -17.2029  -16.6253 H   0  0  0  0  0  0
   15.3241  -11.8750  -12.6728 H   0  0  0  0  0  0
   16.4713  -12.7268  -13.7343 H   0  0  0  0  0  0
   15.8820  -13.5114  -12.2492 H   0  0  0  0  0  0
   11.5005  -16.0266  -15.6498 H   0  0  0  0  0  0
   12.0723  -17.0123  -14.6555 H   0  0  0  0  0  0
   12.9190  -18.4573  -15.2583 H   0  0  0  0  0  0
   13.5438  -17.5882  -13.8362 H   0  0  0  0  0  0
   22.9968  -13.9250  -12.0450 H   0  0  0  0  0  0
   14.6269  -17.3513  -20.3969 H   0  0  0  0  0  0
   15.4197  -15.9239  -19.6882 H   0  0  0  0  0  0
   16.2850  -17.4777  -19.7619 H   0  0  0  0  0  0
   11.4187  -14.9034  -17.8283 H   0  0  0  0  0  0
   15.0290  -18.6461  -12.3436 H   0  0  0  0  0  0
   14.7224  -18.8709  -14.0825 H   0  0  0  0  0  0
   16.3804  -18.9973  -13.4475 H   0  0  0  0  0  0
   23.2979  -12.2249  -13.7865 H   0  0  0  0  0  0
   24.7718  -13.1433  -10.5443 H   0  0  0  0  0  0
   23.8253  -11.6787  -10.1876 H   0  0  0  0  0  0
   23.2156  -13.2753   -9.6904 H   0  0  0  0  0  0
   12.2548  -12.4727  -16.2236 H   0  0  0  0  0  0
   13.2518  -13.3244  -17.4273 H   0  0  0  0  0  0
   11.7706  -12.4788  -17.9364 H   0  0  0  0  0  0
   10.0600  -13.3637  -15.5999 H   0  0  0  0  0  0
    9.5758  -13.3698  -17.3127 H   0  0  0  0  0  0
    9.4621  -14.8629  -16.3503 H   0  0  0  0  0  0
   12.3473  -12.8159  -12.7807 H   0  0  0  0  0  0
   11.8577  -15.0647  -10.8095 H   0  0  0  0  0  0
   26.0316  -11.3589  -11.4854 H   0  0  0  0  0  0
   24.6483  -14.1360  -14.4358 H   0  0  0  0  0  0
   13.2889  -12.4057  -10.5569 H   0  0  0  0  0  0
   11.7254  -12.8259   -9.8173 H   0  0  0  0  0  0
   13.2066  -13.6715   -9.3082 H   0  0  0  0  0  0
   14.3857  -13.9796  -12.0801 H   0  0  0  0  0  0
   14.3034  -15.2454  -10.8314 H   0  0  0  0  0  0
   13.6191  -15.5435  -12.4473 H   0  0  0  0  0  0
   28.3131  -12.2902  -11.6784 H   0  0  0  0  0  0
   26.9298  -15.0673  -14.6288 H   0  0  0  0  0  0
    8.4115  -13.3906  -11.5948 H   0  0  0  0  0  0
    9.0822  -14.2688  -12.9902 H   0  0  0  0  0  0
    9.4297  -14.8275  -11.3364 H   0  0  0  0  0  0
   28.7623  -14.1445  -13.2501 H   0  0  0  0  0  0
    9.3124   -9.4889  -11.4235 H   0  0  0  0  0  0
    9.6600  -10.0478   -9.7697 H   0  0  0  0  0  0
    7.3796   -8.2533  -11.6371 H   0  0  0  0  0  0
    7.5124  -11.4010   -8.7380 H   0  0  0  0  0  0
    0.5885   -4.4463   -9.0149 H   0  0  0  0  0  0
    2.6084   -4.0997   -7.6681 H   0  0  0  0  0  0
    1.4484   -8.6635   -8.1590 H   0  0  0  0  0  0
    5.0535   -7.7419  -10.9753 H   0  0  0  0  0  0
    5.1863  -10.8896   -8.0763 H   0  0  0  0  0  0
    0.5580   -9.8810  -10.0927 H   0  0  0  0  0  0
    0.2713   -8.3378  -10.9323 H   0  0  0  0  0  0
   -1.2301   -7.6338   -9.1255 H   0  0  0  0  0  0
   -0.9433   -9.1770   -8.2859 H   0  0  0  0  0  0
    0.6428   -4.0048   -5.3639 H   0  0  0  0  0  0
    1.8446   -5.2837   -5.6610 H   0  0  0  0  0  0
    2.3807   -3.6317   -5.2716 H   0  0  0  0  0  0
    0.3426   -2.2031   -6.9960 H   0  0  0  0  0  0
    2.0806   -1.8300   -6.9038 H   0  0  0  0  0  0
    1.3263   -2.1728   -8.4792 H   0  0  0  0  0  0
   -3.0270   -9.2403   -9.5776 H   0  0  0  0  0  0
   -2.1204   -8.8513  -11.0592 H   0  0  0  0  0  0
   -2.2664   -5.0940   -5.6822 H   0  0  0  0  0  0
   -4.2435   -4.7948   -4.2291 H   0  0  0  0  0  0
   -5.8911   -2.0194   -7.0422 H   0  0  0  0  0  0
   -3.9139   -2.3186   -8.4953 H   0  0  0  0  0  0
   -6.4272   -3.7302   -3.7938 H   0  0  0  0  0  0
   -8.6377   -3.4132   -9.0002 H   0  0  0  0  0  0
   -6.6927    0.9936   -4.2592 H   0  0  0  0  0  0
   -6.4812   -0.6076   -3.5110 H   0  0  0  0  0  0
   -4.5792    0.7070   -5.4697 H   0  0  0  0  0  0
   -4.3678   -0.8942   -4.7215 H   0  0  0  0  0  0
   -2.5908    1.4736   -4.3912 H   0  0  0  0  0  0
   -2.3793   -0.1275   -3.6430 H   0  0  0  0  0  0
   -2.9636    2.3925   -2.0750 H   0  0  0  0  0  0
   -1.3205    1.7852   -2.3907 H   0  0  0  0  0  0
   -2.3742    0.4137    0.7872 H   0  0  0  0  0  0
   -2.5354    2.0785    0.1785 H   0  0  0  0  0  0
   -0.2711    1.7972    0.8900 H   0  0  0  0  0  0
   -0.2711    1.7972   -0.8900 H   0  0  0  0  0  0
    1.7433    0.5138    0.8900 H   0  0  0  0  0  0
    1.7433    0.5138   -0.8900 H   0  0  0  0  0  0
    1.5167   -1.9280   -0.8900 H   0  0  0  0  0  0
    1.5167   -1.9280    0.8900 H   0  0  0  0  0  0
    3.5311   -3.2114   -0.8900 H   0  0  0  0  0  0
    3.5311   -3.2114    0.8900 H   0  0  0  0  0  0
    5.6484   -1.9740    0.8900 H   0  0  0  0  0  0
    5.6484   -1.9740   -0.8900 H   0  0  0  0  0  0
    7.6628   -3.2573    0.8900 H   0  0  0  0  0  0
    7.6628   -3.2573   -0.8900 H   0  0  0  0  0  0
    8.8747   -5.1905   -0.1785 H   0  0  0  0  0  0
    7.2978   -5.7481   -0.7872 H   0  0  0  0  0  0
    7.8583   -7.3895    2.3881 H   0  0  0  0  0  0
    8.9882   -7.1609    1.0319 H   0  0  0  0  0  0
    6.0409   -7.7436    0.6794 H   0  0  0  0  0  0
    7.2984   -9.0028    0.7159 H   0  0  0  0  0  0
    6.8046   -8.0859   -2.7492 H   0  0  0  0  0  0
    5.5860   -8.4060   -1.4919 H   0  0  0  0  0  0
    6.4051  -10.5217   -2.2438 H   0  0  0  0  0  0
    7.1009  -10.2264   -0.6323 H   0  0  0  0  0  0
    8.2470  -11.9452   -2.7783 H   0  0  0  0  0  0
    8.9429  -11.6499   -1.1668 H   0  0  0  0  0  0
   10.9032  -10.6041   -2.2049 H   0  0  0  0  0  0
   10.2074  -10.8994   -3.8164 H   0  0  0  0  0  0
   12.0909  -12.1616   -4.2849 H   0  0  0  0  0  0
   12.3131  -13.7046   -3.4257 H   0  0  0  0  0  0
   12.6908  -10.9957   -2.1335 H   0  0  0  0  0  0
   14.0116  -11.9247   -2.8823 H   0  0  0  0  0  0
   13.7234  -11.2512    0.0050 H   0  0  0  0  0  0
   15.0442  -12.1802   -0.7438 H   0  0  0  0  0  0
   14.4113  -14.1460    0.5788 H   0  0  0  0  0  0
   13.0905  -13.2170    1.3276 H   0  0  0  0  0  0
   15.4440  -14.4016    2.7173 H   0  0  0  0  0  0
   14.1232  -13.4726    3.4661 H   0  0  0  0  0  0
   15.7252  -11.7466    4.1506 H   0  0  0  0  0  0
   17.0460  -12.6756    3.4018 H   0  0  0  0  0  0
   26.1483  -19.9611    7.7445 H   0  0  0  0  0  0
   23.9375  -19.3244    8.3313 H   0  0  0  0  0  0
   24.2606  -21.0346    8.7045 H   0  0  0  0  0  0
   23.2890  -21.6883    6.5497 H   0  0  0  0  0  0
   22.9659  -19.9781    6.1766 H   0  0  0  0  0  0
   22.5857  -21.7316    9.3185 H   0  0  0  0  0  0
   21.8973  -22.7722    8.0492 H   0  0  0  0  0  0
   19.6640  -21.8793    8.5284 H   0  0  0  0  0  0
   20.3525  -20.8387    9.7977 H   0  0  0  0  0  0
   18.3610  -23.0220   10.1719 H   0  0  0  0  0  0
   19.0495  -21.9814   11.4412 H   0  0  0  0  0  0
   19.5463  -24.9598   11.2618 H   0  0  0  0  0  0
   18.2401  -24.2336   12.2286 H   0  0  0  0  0  0
   20.5983  -25.7312   13.2626 H   0  0  0  0  0  0
   19.2920  -25.0051   14.2293 H   0  0  0  0  0  0
   22.1646  -24.0607   14.3132 H   0  0  0  0  0  0
   21.4902  -25.2703   15.4315 H   0  0  0  0  0  0
   22.4705  -22.5469   16.1351 H   0  0  0  0  0  0
   21.7961  -23.7564   17.2534 H   0  0  0  0  0  0
   21.4320  -21.6048   18.2285 H   0  0  0  0  0  0
   19.8619  -22.1849   17.6233 H   0  0  0  0  0  0
   20.2455  -18.7684   16.4958 H   0  0  0  0  0  0
   20.5711  -19.4593   18.1035 H   0  0  0  0  0  0
   18.5442  -20.8283   17.9258 H   0  0  0  0  0  0
   18.2186  -20.1374   16.3180 H   0  0  0  0  0  0
   16.5110  -19.8799   18.7451 H   0  0  0  0  0  0
   16.1854  -19.1890   17.1374 H   0  0  0  0  0  0
   16.7446  -17.5207   19.5979 H   0  0  0  0  0  0
   15.1081  -17.9710   19.0619 H   0  0  0  0  0  0
   16.2590  -15.2250   19.1520 H   0  0  0  0  0  0
   14.6225  -15.6753   18.6160 H   0  0  0  0  0  0
   15.5155  -13.5323   17.6372 H   0  0  0  0  0  0
   16.7283  -14.5142   16.7809 H   0  0  0  0  0  0
   15.7425  -13.9093   14.6912 H   0  0  0  0  0  0
   14.5297  -12.9274   15.5475 H   0  0  0  0  0  0
   13.5719  -13.5763   13.4561 H   0  0  0  0  0  0
   12.7860  -14.5485   14.7231 H   0  0  0  0  0  0
   12.2572  -16.0838   13.0728 H   0  0  0  0  0  0
   13.5780  -17.0128   12.3240 H   0  0  0  0  0  0
   13.0646  -14.0835   11.7711 H   0  0  0  0  0  0
   12.3959  -15.4059   10.7851 H   0  0  0  0  0  0
   14.3808  -13.3634    9.9126 H   0  0  0  0  0  0
   13.7121  -14.6859    8.9266 H   0  0  0  0  0  0
   15.9550  -15.6515    8.7005 H   0  0  0  0  0  0
   16.6238  -14.3290    9.6865 H   0  0  0  0  0  0
   17.2712  -14.9314    6.8420 H   0  0  0  0  0  0
   17.9400  -13.6089    7.8280 H   0  0  0  0  0  0
   18.0786  -12.9311    5.5403 H   0  0  0  0  0  0
   16.7578  -12.0021    6.2891 H   0  0  0  0  0  0
  1 26  1  0  0  0
  1 40  1  0  0  0
  2 32  1  0  0  0
  2 46  1  0  0  0
  3 30  2  0  0  0
  4 36  2  0  0  0
  5 39  2  0  0  0
  6 47  1  0  0  0
  6167  1  0  0  0
  7 51  2  0  0  0
  8 62  1  0  0  0
  8 64  1  0  0  0
  9 62  2  0  0  0
 10 75  2  0  0  0
 11 76  2  0  0  0
 12 80  2  0  0  0
 13 82  2  0  0  0
 14 24  1  0  0  0
 14 28  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 39  1  0  0  0
 15 42  1  0  0  0
 16 36  1  0  0  0
 16 43  1  0  0  0
 16168  1  0  0  0
 17 41  1  0  0  0
 17 51  1  0  0  0
 17169  1  0  0  0
 18 53  1  0  0  0
 18 61  1  0  0  0
 18 62  1  0  0  0
 19 70  1  0  0  0
 19 75  1  0  0  0
 19170  1  0  0  0
 20 68  1  0  0  0
 20 80  1  0  0  0
 20171  1  0  0  0
 21 73  1  0  0  0
 21 76  1  0  0  0
 21172  1  0  0  0
 22 81  1  0  0  0
 22 82  1  0  0  0
 22173  1  0  0  0
 23 82  1  0  0  0
 23174  1  0  0  0
 23175  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 24176  1  0  0  0
 25 27  1  0  0  0
 25177  1  0  0  0
 25178  1  0  0  0
 26 29  1  0  0  0
 26179  1  0  0  0
 27 28  1  0  0  0
 27180  1  0  0  0
 27181  1  0  0  0
 28182  1  0  0  0
 28183  1  0  0  0
 29 35  1  0  0  0
 29 36  1  0  0  0
 29184  1  0  0  0
 30 33  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 31185  1  0  0  0
 32 33  1  0  0  0
 32186  1  0  0  0
 33187  1  0  0  0
 33188  1  0  0  0
 34 37  1  0  0  0
 34 38  1  0  0  0
 34189  1  0  0  0
 35190  1  0  0  0
 35191  1  0  0  0
 35192  1  0  0  0
 37 44  1  0  0  0
 37193  1  0  0  0
 37194  1  0  0  0
 38195  1  0  0  0
 38196  1  0  0  0
 38197  1  0  0  0
 39 41  1  0  0  0
 40198  1  0  0  0
 40199  1  0  0  0
 40200  1  0  0  0
 41 45  1  0  0  0
 41201  1  0  0  0
 42202  1  0  0  0
 42203  1  0  0  0
 42204  1  0  0  0
 43 47  1  0  0  0
 43 48  1  0  0  0
 43205  1  0  0  0
 44206  1  0  0  0
 44207  1  0  0  0
 44208  1  0  0  0
 45 49  1  0  0  0
 45 50  1  0  0  0
 45209  1  0  0  0
 46210  1  0  0  0
 46211  1  0  0  0
 46212  1  0  0  0
 47 52  1  0  0  0
 47213  1  0  0  0
 48214  1  0  0  0
 48215  1  0  0  0
 48216  1  0  0  0
 49217  1  0  0  0
 49218  1  0  0  0
 49219  1  0  0  0
 50220  1  0  0  0
 50221  1  0  0  0
 50222  1  0  0  0
 51 53  1  0  0  0
 52 55  2  0  0  0
 52 56  1  0  0  0
 53 54  1  0  0  0
 53223  1  0  0  0
 54 57  1  0  0  0
 54 58  1  0  0  0
 54224  1  0  0  0
 55 59  1  0  0  0
 55225  1  0  0  0
 56 60  2  0  0  0
 56226  1  0  0  0
 57227  1  0  0  0
 57228  1  0  0  0
 57229  1  0  0  0
 58230  1  0  0  0
 58231  1  0  0  0
 58232  1  0  0  0
 59 63  2  0  0  0
 59233  1  0  0  0
 60 63  1  0  0  0
 60234  1  0  0  0
 61235  1  0  0  0
 61236  1  0  0  0
 61237  1  0  0  0
 63238  1  0  0  0
 64 65  1  0  0  0
 64239  1  0  0  0
 64240  1  0  0  0
 65 66  2  0  0  0
 65 67  1  0  0  0
 66 71  1  0  0  0
 66241  1  0  0  0
 67 72  2  0  0  0
 67242  1  0  0  0
 68 69  1  0  0  0
 68 75  1  0  0  0
 68243  1  0  0  0
 69 78  1  0  0  0
 69 79  1  0  0  0
 69244  1  0  0  0
 70 74  1  0  0  0
 70 76  1  0  0  0
 70245  1  0  0  0
 71 73  2  0  0  0
 71246  1  0  0  0
 72 73  1  0  0  0
 72247  1  0  0  0
 74 77  1  0  0  0
 74248  1  0  0  0
 74249  1  0  0  0
 77 81  1  0  0  0
 77250  1  0  0  0
 77251  1  0  0  0
 78252  1  0  0  0
 78253  1  0  0  0
 78254  1  0  0  0
 79255  1  0  0  0
 79256  1  0  0  0
 79257  1  0  0  0
 80 83  1  0  0  0
 81258  1  0  0  0
 81259  1  0  0  0
 83 88  1  0  0  0
 83 84  2  0  0  0
 84 85  1  0  0  0
 84260  1  0  0  0
 85 86  2  0  0  0
 85261  1  0  0  0
 86 87  1  0  0  0
 86 89  1  0  0  0
 87 88  2  0  0  0
 87262  1  0  0  0
 88263  1  0  0  0
 89 90  1  0  0  0
 89264  1  0  0  0
 90 91  2  0  0  0
 90 92  1  0  0  0
 90 93  1  0  0  0
 92 95  1  0  0  0
 93 94  3  0  0  0
 94265  1  0  0  0
 95 96  1  0  0  0
 95266  1  0  0  0
 95267  1  0  0  0
 96 97  1  0  0  0
 96268  1  0  0  0
 96269  1  0  0  0
 97 98  1  0  0  0
 98 99  1  0  0  0
 98270  1  0  0  0
 98271  1  0  0  0
 99100  1  0  0  0
 99272  1  0  0  0
 99273  1  0  0  0
100101  1  0  0  0
101102  1  0  0  0
101274  1  0  0  0
101275  1  0  0  0
102103  1  0  0  0
102276  1  0  0  0
102277  1  0  0  0
103104  1  0  0  0
104105  1  0  0  0
104278  1  0  0  0
104279  1  0  0  0
105106  1  0  0  0
105280  1  0  0  0
105281  1  0  0  0
106107  1  0  0  0
107108  1  0  0  0
107282  1  0  0  0
107283  1  0  0  0
108109  1  0  0  0
108284  1  0  0  0
108285  1  0  0  0
109110  1  0  0  0
110111  1  0  0  0
110286  1  0  0  0
110287  1  0  0  0
111112  1  0  0  0
111288  1  0  0  0
111289  1  0  0  0
112113  1  0  0  0
113114  1  0  0  0
113290  1  0  0  0
113291  1  0  0  0
114115  1  0  0  0
114292  1  0  0  0
114293  1  0  0  0
115116  1  0  0  0
116117  1  0  0  0
116294  1  0  0  0
116295  1  0  0  0
117118  1  0  0  0
117296  1  0  0  0
117297  1  0  0  0
118119  1  0  0  0
119120  1  0  0  0
119298  1  0  0  0
119299  1  0  0  0
120121  1  0  0  0
120300  1  0  0  0
120301  1  0  0  0
121122  1  0  0  0
122123  1  0  0  0
122302  1  0  0  0
122303  1  0  0  0
123124  1  0  0  0
123304  1  0  0  0
123305  1  0  0  0
124125  1  0  0  0
125126  1  0  0  0
125306  1  0  0  0
125307  1  0  0  0
126127  1  0  0  0
126308  1  0  0  0
126309  1  0  0  0
127128  1  0  0  0
128129  1  0  0  0
128310  1  0  0  0
128311  1  0  0  0
129130  1  0  0  0
129312  1  0  0  0
129313  1  0  0  0
130166  1  0  0  0
131132  1  0  0  0
131314  1  0  0  0
132133  1  0  0  0
132315  1  0  0  0
132316  1  0  0  0
133134  1  0  0  0
133317  1  0  0  0
133318  1  0  0  0
134135  1  0  0  0
135136  1  0  0  0
135319  1  0  0  0
135320  1  0  0  0
136137  1  0  0  0
136321  1  0  0  0
136322  1  0  0  0
137138  1  0  0  0
138139  1  0  0  0
138323  1  0  0  0
138324  1  0  0  0
139140  1  0  0  0
139325  1  0  0  0
139326  1  0  0  0
140141  1  0  0  0
141142  1  0  0  0
141327  1  0  0  0
141328  1  0  0  0
142143  1  0  0  0
142329  1  0  0  0
142330  1  0  0  0
143144  1  0  0  0
144145  1  0  0  0
144331  1  0  0  0
144332  1  0  0  0
145146  1  0  0  0
145333  1  0  0  0
145334  1  0  0  0
146147  1  0  0  0
147148  1  0  0  0
147335  1  0  0  0
147336  1  0  0  0
148149  1  0  0  0
148337  1  0  0  0
148338  1  0  0  0
149150  1  0  0  0
150151  1  0  0  0
150339  1  0  0  0
150340  1  0  0  0
151152  1  0  0  0
151341  1  0  0  0
151342  1  0  0  0
152153  1  0  0  0
153154  1  0  0  0
153343  1  0  0  0
153344  1  0  0  0
154155  1  0  0  0
154345  1  0  0  0
154346  1  0  0  0
155156  1  0  0  0
156157  1  0  0  0
156347  1  0  0  0
156348  1  0  0  0
157158  1  0  0  0
157349  1  0  0  0
157350  1  0  0  0
158159  1  0  0  0
159160  1  0  0  0
159351  1  0  0  0
159352  1  0  0  0
160161  1  0  0  0
160353  1  0  0  0
160354  1  0  0  0
161162  1  0  0  0
162163  1  0  0  0
162355  1  0  0  0
162356  1  0  0  0
163164  1  0  0  0
163357  1  0  0  0
163358  1  0  0  0
164165  1  0  0  0
165166  1  0  0  0
165359  1  0  0  0
165360  1  0  0  0
166361  1  0  0  0
166362  1  0  0  0
M  END
> <s_m_entry_id>
44

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
