
 UNII-D8690V3244

676680  0  0  0  0  0  0  0  0999 V2000
   17.6189  -42.8930    8.4581 C   0  0  0  0  0
   18.1077  -41.6306    9.1552 C   0  0  0  0  0
   17.7763  -40.3169    8.4050 C   0  0  0  0  0
   16.2580  -40.1431    8.2721 C   0  0  0  0  0
   18.3992  -39.1173    9.1516 C   0  0  0  0  0
   19.9317  -39.1779    9.3408 C   0  0  0  0  0
   20.4017  -39.3485   10.4717 O   0  0  0  0  0
   20.8314  -39.0112    8.3340 N   0  0  0  0  0
   20.8755  -39.5731    6.9727 C   0  0  0  0  0
   20.8899  -41.1113    6.9592 C   0  0  0  0  0
   21.7179  -41.5896    5.8953 O   0  0  0  0  0
   19.9343  -38.9610    5.9046 C   0  0  0  0  0
   19.2368  -37.9733    6.1181 O   0  0  0  0  0
   20.0446  -39.5456    4.6674 N   0  0  0  0  0
   19.5808  -38.9545    3.3976 C   0  0  0  0  0
   20.8570  -38.7402    2.5565 C   0  0  0  0  0
   20.7376  -37.7838    1.3646 C   0  0  0  0  0
   20.5282  -36.3370    1.8164 C   0  0  0  0  0
   22.0052  -37.8618    0.5069 C   0  0  0  0  0
   18.6626  -40.0235    2.7769 C   0  0  0  0  0
   19.0404  -41.2040    2.7254 O   0  0  0  0  0
   17.4067  -39.7950    2.3194 N   0  0  0  0  0
   16.5684  -38.6058    2.0392 C   0  0  0  0  0
   16.5174  -37.5841    3.1735 C   0  0  0  0  0
   15.2933  -36.7210    3.0299 C   0  0  0  0  0
   14.7495  -36.3798    1.9926 O   0  0  0  0  0
   14.8348  -36.2846    4.2219 O   0  0  0  0  0
   17.0083  -37.9815    0.7040 C   0  0  0  0  0
   17.7490  -36.9950    0.6854 O   0  0  0  0  0
   16.6874  -38.5378   -0.4999 N   0  0  0  0  0
   15.6139  -39.4429   -0.9204 C   0  0  0  0  0
   15.6139  -40.8285   -0.2525 C   0  0  0  0  0
   14.7695  -41.8859   -1.0063 C   0  0  0  0  0
   15.3830  -42.2839   -2.3512 C   0  0  0  0  0
   14.6103  -43.1358   -0.1357 C   0  0  0  0  0
   14.2421  -38.7435   -0.8199 C   0  0  0  0  0
   13.5572  -38.8491    0.2026 O   0  0  0  0  0
   13.7092  -38.0265   -1.8499 N   0  0  0  0  0
   14.2986  -37.3132   -3.0028 C   0  0  0  0  0
   14.6391  -35.8263   -2.7364 C   0  0  0  0  0
   15.7826  -35.5431   -1.7806 C   0  0  0  0  0
   14.8973  -35.1319   -3.9647 O   0  0  0  0  0
   15.3739  -38.0896   -3.7776 C   0  0  0  0  0
   16.5748  -37.9844   -3.5076 O   0  0  0  0  0
   15.0415  -39.0685   -4.6694 N   0  0  0  0  0
   13.7854  -39.4078   -5.3717 C   0  0  0  0  0
   12.5626  -39.6578   -4.4738 C   0  0  0  0  0
   11.4162  -40.3410   -5.1858 C   0  0  0  0  0
   11.3774  -41.7360   -5.3022 C   0  0  0  0  0
   10.3223  -42.3621   -5.9688 C   0  0  0  0  0
    9.2940  -41.6015   -6.5211 C   0  0  0  0  0
    9.3197  -40.2136   -6.4065 C   0  0  0  0  0
   10.3768  -39.5849   -5.7461 C   0  0  0  0  0
   13.5265  -38.3167   -6.4250 C   0  0  0  0  0
   13.2526  -37.1604   -6.0782 O   0  0  0  0  0
   13.6586  -38.5545   -7.7584 N   0  0  0  0  0
   14.1874  -39.7001   -8.5368 C   0  0  0  0  0
   15.6666  -39.9939   -8.2412 C   0  0  0  0  0
   16.2680  -41.0170   -9.1486 C   0  0  0  0  0
   17.3308  -41.8607   -8.9040 C   0  0  0  0  0
   17.4602  -42.6170  -10.0356 N   0  0  0  0  0
   16.4977  -42.2098  -10.9134 C   0  0  0  0  0
   15.7685  -41.2411  -10.4107 N   0  0  0  0  0
   13.3117  -40.9569   -8.3857 C   0  0  0  0  0
   13.5877  -41.8330   -7.5575 O   0  0  0  0  0
   12.1570  -41.1164   -9.0854 N   0  0  0  0  0
   11.5263  -40.3587  -10.1745 C   0  0  0  0  0
   11.0936  -38.9441   -9.7561 C   0  0  0  0  0
   10.0190  -38.3217  -10.6756 C   0  0  0  0  0
    8.6563  -39.0009  -10.5236 C   0  0  0  0  0
    9.8773  -36.8284  -10.3663 C   0  0  0  0  0
   12.4200  -40.3467  -11.4324 C   0  0  0  0  0
   13.0787  -39.3483  -11.7460 O   0  0  0  0  0
   12.5478  -41.4307  -12.2406 N   0  0  0  0  0
   11.8014  -42.6896  -12.3617 C   0  0  0  0  0
   11.9622  -43.5984  -11.1321 C   0  0  0  0  0
   11.7033  -45.0925  -11.4238 C   0  0  0  0  0
   12.8447  -45.7297  -12.2198 C   0  0  0  0  0
   11.5198  -45.8529  -10.1067 C   0  0  0  0  0
   10.3200  -42.4086  -12.7130 C   0  0  0  0  0
    9.4280  -42.5273  -11.8647 O   0  0  0  0  0
    9.9290  -41.9329  -13.9295 N   0  0  0  0  0
   10.5829  -41.9159  -15.2481 C   0  0  0  0  0
   11.9443  -41.2083  -15.2857 C   0  0  0  0  0
   12.1639  -40.4866  -16.6174 C   0  0  0  0  0
   13.5502  -39.8614  -16.7567 C   0  0  0  0  0
   14.4821  -40.8178  -17.3308 N   0  0  0  0  0
   14.5154  -41.1458  -18.6437 C   0  0  0  0  0
   13.6719  -40.8690  -19.5687 N   0  0  0  0  0
   15.6009  -41.8851  -18.9375 N   0  0  0  0  0
   10.6328  -43.3642  -15.7788 C   0  0  0  0  0
   11.2509  -44.2357  -15.1569 O   0  0  0  0  0
    9.9735  -43.7529  -16.9041 N   0  0  0  0  0
    9.1517  -43.0490  -17.8918 C   0  0  0  0  0
    7.9481  -42.3080  -17.2876 C   0  0  0  0  0
    6.8229  -42.1337  -18.3143 C   0  0  0  0  0
    5.6490  -41.4073  -17.7177 C   0  0  0  0  0
    5.5332  -41.0041  -16.5734 O   0  0  0  0  0
    4.6598  -41.2318  -18.6146 O   0  0  0  0  0
   10.0202  -42.1772  -18.8231 C   0  0  0  0  0
    9.9526  -40.9440  -18.7644 O   0  0  0  0  0
   10.8596  -42.7053  -19.7578 N   0  0  0  0  0
   11.2527  -44.0729  -20.1557 C   0  0  0  0  0
   12.6786  -44.4581  -19.6840 C   0  0  0  0  0
   12.8920  -44.5014  -18.1763 C   0  0  0  0  0
   13.1419  -45.7771  -20.3152 C   0  0  0  0  0
   10.1702  -45.1491  -19.9535 C   0  0  0  0  0
   10.1581  -45.8665  -18.9472 O   0  0  0  0  0
    9.0960  -45.2512  -20.7888 N   0  0  0  0  0
    8.8053  -44.6881  -22.1233 C   0  0  0  0  0
    8.9129  -43.1541  -22.1963 C   0  0  0  0  0
    8.0516  -42.5147  -23.3058 C   0  0  0  0  0
    6.5730  -42.4579  -22.9101 C   0  0  0  0  0
    8.5455  -41.0940  -23.5971 C   0  0  0  0  0
    9.6962  -45.4112  -23.1592 C   0  0  0  0  0
   10.8455  -45.0224  -23.3951 O   0  0  0  0  0
    9.3279  -46.5869  -23.7475 N   0  0  0  0  0
    8.0386  -47.2901  -23.8553 C   0  0  0  0  0
    7.3796  -47.5982  -22.5078 C   0  0  0  0  0
    6.4651  -48.8216  -22.5746 C   0  0  0  0  0
    5.8211  -49.1016  -21.2391 C   0  0  0  0  0
    5.7794  -48.3160  -20.3057 O   0  0  0  0  0
    5.2515  -50.3268  -21.1879 O   0  0  0  0  0
    7.1433  -46.4631  -24.7925 C   0  0  0  0  0
    6.7214  -45.3543  -24.4509 O   0  0  0  0  0
    6.8424  -46.8468  -26.0573 N   0  0  0  0  0
    7.0457  -48.0833  -26.8254 C   0  0  0  0  0
    8.5240  -48.4200  -27.0580 C   0  0  0  0  0
    8.6811  -49.4521  -28.1780 C   0  0  0  0  0
   10.4499  -49.7801  -28.4607 S   0  0  0  0  0
   10.2893  -50.9898  -29.7962 C   0  0  0  0  0
    6.2395  -49.2194  -26.1706 C   0  0  0  0  0
    6.7794  -50.0396  -25.4203 O   0  0  0  0  0
    4.8834  -49.2946  -26.2777 N   0  0  0  0  0
    3.9165  -48.6628  -27.1929 C   0  0  0  0  0
    3.9651  -47.1433  -27.2450 C   0  0  0  0  0
    4.0379  -49.2907  -28.5968 C   0  0  0  0  0
    5.1416  -49.6028  -29.0580 O   0  0  0  0  0
    2.9522  -49.4448  -29.4087 N   0  0  0  0  0
    1.5108  -49.5077  -29.0965 C   0  0  0  0  0
    1.1840  -50.6785  -28.1529 C   0  0  0  0  0
   -0.3149  -51.0041  -28.1404 C   0  0  0  0  0
   -0.6258  -52.1445  -27.1722 C   0  0  0  0  0
   -2.0462  -52.4311  -27.1689 N   0  0  0  0  0
   -2.6685  -53.2646  -28.0289 C   0  0  0  0  0
   -2.2225  -53.7848  -29.1097 N   0  0  0  0  0
   -3.9289  -53.5283  -27.6379 N   0  0  0  0  0
    1.0010  -48.1500  -28.5867 C   0  0  0  0  0
    0.7652  -47.9670  -27.3881 O   0  0  0  0  0
    0.9212  -47.0637  -29.4081 N   0  0  0  0  0
    0.6928  -46.9678  -30.8563 C   0  0  0  0  0
    1.6679  -47.6988  -31.7658 C   0  0  0  0  0
   -0.7630  -47.3840  -31.1199 C   0  0  0  0  0
   -1.1717  -48.4983  -30.7743 O   0  0  0  0  0
   -1.6652  -46.5512  -31.7041 N   0  0  0  0  0
   -1.5634  -45.1808  -32.2259 C   0  0  0  0  0
   -1.1820  -44.1371  -31.1696 C   0  0  0  0  0
   -1.4985  -42.7152  -31.6480 C   0  0  0  0  0
   -1.1438  -41.6897  -30.5992 C   0  0  0  0  0
   -0.7588  -41.9478  -29.4701 O   0  0  0  0  0
   -1.3185  -40.4227  -31.0372 O   0  0  0  0  0
   -0.6451  -45.1949  -33.4571 C   0  0  0  0  0
    0.5510  -44.9055  -33.3627 O   0  0  0  0  0
   -1.0786  -45.6536  -34.6651 N   0  0  0  0  0
   -2.4223  -45.7373  -35.2611 C   0  0  0  0  0
   -3.4557  -46.5837  -34.4943 C   0  0  0  0  0
   -4.6862  -46.8938  -35.3480 C   0  0  0  0  0
   -5.7379  -47.7853  -34.7258 C   0  0  0  0  0
   -6.4230  -48.5491  -35.4027 O   0  0  0  0  0
   -5.9750  -47.6414  -33.3957 N   0  0  0  0  0
   -2.9162  -44.2935  -35.5044 C   0  0  0  0  0
   -3.0687  -43.5146  -34.5556 O   0  0  0  0  0
   -3.2019  -43.8269  -36.7518 N   0  0  0  0  0
   -2.8435  -44.3320  -38.0936 C   0  0  0  0  0
   -1.3177  -44.3428  -38.2964 C   0  0  0  0  0
   -0.8666  -44.5162  -39.7640 C   0  0  0  0  0
   -1.2897  -43.3441  -40.6521 C   0  0  0  0  0
    0.6555  -44.6750  -39.8183 C   0  0  0  0  0
   -3.5115  -45.6879  -38.3635 C   0  0  0  0  0
   -2.8493  -46.7234  -38.4785 O   0  0  0  0  0
   -4.8641  -45.8346  -38.3423 N   0  0  0  0  0
   -5.9519  -44.9466  -38.7695 C   0  0  0  0  0
   -5.9349  -43.4949  -38.3241 C   0  0  0  0  0
   -6.0056  -45.0801  -40.2937 C   0  0  0  0  0
   -5.1860  -44.4936  -41.0066 O   0  0  0  0  0
   -6.8526  -45.9681  -40.8889 N   0  0  0  0  0
   -7.9964  -46.7371  -40.3646 C   0  0  0  0  0
   -7.6077  -47.8042  -39.3287 C   0  0  0  0  0
   -8.7716  -48.7439  -39.0007 C   0  0  0  0  0
   -8.2950  -50.1065  -38.5524 C   0  0  0  0  0
   -8.5900  -51.1385  -39.1462 O   0  0  0  0  0
   -7.5148  -50.1413  -37.4409 N   0  0  0  0  0
   -9.0726  -45.7392  -39.8941 C   0  0  0  0  0
   -9.1860  -45.4349  -38.7025 O   0  0  0  0  0
   -9.8447  -45.0472  -40.7825 N   0  0  0  0  0
  -10.2615  -45.3714  -42.1577 C   0  0  0  0  0
   -9.1292  -45.5405  -43.1750 C   0  0  0  0  0
   -9.6373  -45.4286  -44.6138 C   0  0  0  0  0
   -8.5220  -45.6974  -45.5940 C   0  0  0  0  0
   -7.9167  -44.8135  -46.1869 O   0  0  0  0  0
   -8.1904  -47.0104  -45.7467 N   0  0  0  0  0
  -11.1698  -46.6077  -42.0487 C   0  0  0  0  0
  -10.6941  -47.7470  -42.0892 O   0  0  0  0  0
  -12.4943  -46.5004  -41.7369 N   0  0  0  0  0
  -13.4453  -45.4114  -42.0090 C   0  0  0  0  0
  -13.1692  -44.0936  -41.2994 C   0  0  0  0  0
  -13.5247  -45.2882  -43.5376 C   0  0  0  0  0
  -12.6764  -44.6482  -44.1680 O   0  0  0  0  0
  -14.3737  -46.0599  -44.2767 N   0  0  0  0  0
  -15.7470  -46.5101  -43.9621 C   0  0  0  0  0
  -15.9028  -47.4224  -42.7433 C   0  0  0  0  0
  -17.0321  -48.3861  -42.8848 C   0  0  0  0  0
  -17.0089  -49.6818  -43.3537 C   0  0  0  0  0
  -18.2933  -50.1332  -43.2305 N   0  0  0  0  0
  -19.0325  -49.1199  -42.6911 C   0  0  0  0  0
  -18.3044  -48.0449  -42.4908 N   0  0  0  0  0
  -16.5686  -45.2165  -43.8426 C   0  0  0  0  0
  -16.4401  -44.4751  -42.8619 O   0  0  0  0  0
  -17.3116  -44.7510  -44.8855 N   0  0  0  0  0
  -17.6419  -45.3505  -46.1918 C   0  0  0  0  0
  -16.4176  -45.4897  -47.1128 C   0  0  0  0  0
  -16.7622  -45.1314  -48.4498 O   0  0  0  0  0
  -18.3865  -46.6765  -45.9627 C   0  0  0  0  0
  -17.8983  -47.7651  -46.2824 O   0  0  0  0  0
  -19.5725  -46.7152  -45.2882 N   0  0  0  0  0
  -20.6890  -45.7542  -45.2435 C   0  0  0  0  0
  -20.3762  -44.3317  -44.8039 C   0  0  0  0  0
  -21.6416  -43.6588  -44.3265 C   0  0  0  0  0
  -22.5117  -43.2438  -45.0828 O   0  0  0  0  0
  -21.7727  -43.5496  -42.9743 N   0  0  0  0  0
  -21.3257  -45.8106  -46.6393 C   0  0  0  0  0
  -20.7952  -45.2485  -47.6003 O   0  0  0  0  0
  -22.3977  -46.6157  -46.8923 N   0  0  0  0  0
  -23.3206  -47.3144  -45.9865 C   0  0  0  0  0
  -22.6736  -48.4592  -45.1925 C   0  0  0  0  0
  -23.7308  -49.4386  -44.6635 C   0  0  0  0  0
  -23.1136  -50.4526  -43.7031 C   0  0  0  0  0
  -24.1021  -51.4155  -43.2617 N   0  0  0  0  0
  -24.5225  -52.4756  -43.9852 C   0  0  0  0  0
  -23.9980  -52.9932  -45.0313 N   0  0  0  0  0
  -25.6377  -53.0195  -43.4654 N   0  0  0  0  0
  -23.9886  -46.2506  -45.0970 C   0  0  0  0  0
  -23.6623  -46.0978  -43.9154 O   0  0  0  0  0
  -24.8710  -45.3576  -45.6361 N   0  0  0  0  0
  -25.9503  -45.6400  -46.5905 C   0  0  0  0  0
  -25.4918  -45.8545  -48.0379 C   0  0  0  0  0
  -26.6563  -45.6558  -49.0185 C   0  0  0  0  0
  -26.2115  -45.8537  -50.4685 C   0  0  0  0  0
  -27.3774  -45.6395  -51.4343 C   0  0  0  0  0
  -26.9525  -45.8271  -52.8172 N   0  0  0  0  0
  -26.7472  -46.8178  -46.0011 C   0  0  0  0  0
  -26.5230  -47.9802  -46.3536 O   0  0  0  0  0
  -27.5810  -46.6546  -44.9339 N   0  0  0  0  0
  -28.3812  -45.4951  -44.5098 C   0  0  0  0  0
  -27.5981  -44.2169  -44.1685 C   0  0  0  0  0
  -28.3728  -43.2381  -43.2579 C   0  0  0  0  0
  -28.3327  -43.6770  -41.7921 C   0  0  0  0  0
  -27.7822  -41.8291  -43.3720 C   0  0  0  0  0
  -29.4281  -45.2905  -45.6224 C   0  0  0  0  0
  -29.1323  -44.7285  -46.6808 O   0  0  0  0  0
  -30.6701  -45.8477  -45.5352 N   0  0  0  0  0
  -31.3450  -46.5291  -44.4227 C   0  0  0  0  0
  -30.7181  -47.8807  -44.0518 C   0  0  0  0  0
  -31.6916  -48.7374  -43.2366 C   0  0  0  0  0
  -30.8984  -50.3169  -42.7996 S   0  0  0  0  0
  -32.2218  -51.0110  -41.7806 C   0  0  0  0  0
  -31.4408  -45.5475  -43.2442 C   0  0  0  0  0
  -30.9677  -45.8060  -42.1357 O   0  0  0  0  0
  -32.0118  -44.3128  -43.4023 N   0  0  0  0  0
  -33.3611  -44.0422  -43.9351 C   0  0  0  0  0
  -33.5352  -44.3066  -45.4334 C   0  0  0  0  0
  -34.8283  -43.7147  -45.9883 C   0  0  0  0  0
  -35.0113  -44.1154  -47.4281 C   0  0  0  0  0
  -34.6507  -43.4379  -48.3767 O   0  0  0  0  0
  -35.5789  -45.3332  -47.5760 O   0  0  0  0  0
  -34.3026  -44.8870  -43.0508 C   0  0  0  0  0
  -34.5708  -46.0545  -43.3528 O   0  0  0  0  0
  -34.6091  -44.4548  -41.7814 N   0  0  0  0  0
  -35.4191  -43.2564  -41.4566 C   0  0  0  0  0
  -34.6441  -42.2055  -40.6019 C   0  0  0  0  0
  -33.2186  -41.9262  -41.0784 C   0  0  0  0  0
  -35.4298  -40.8868  -40.4338 C   0  0  0  0  0
  -34.9082  -40.0066  -39.3030 C   0  0  0  0  0
  -36.2014  -42.7001  -42.6639 C   0  0  0  0  0
  -35.6204  -42.0484  -43.5380 O   0  0  0  0  0
  -37.5117  -42.9637  -42.9068 N   0  0  0  0  0
  -38.6423  -43.5541  -42.1594 C   0  0  0  0  0
  -38.7838  -45.1028  -42.1370 C   0  0  0  0  0
  -37.7011  -45.8339  -41.3564 C   0  0  0  0  0
  -40.1949  -45.4958  -41.6267 C   0  0  0  0  0
  -40.4859  -46.9915  -41.6459 C   0  0  0  0  0
  -38.9075  -42.8659  -40.8141 C   0  0  0  0  0
  -38.1741  -42.8577  -39.8402 O   0  0  0  0  0
  -40.0694  -42.1818  -40.7993 O   0  0  0  0  0
   18.0790  -37.8109    8.5664 N   0  0  0  0  0
   17.6337  -36.6820    9.2098 C   0  0  0  0  0
   17.7457  -35.5905    8.6518 O   0  0  0  0  0
   16.9305  -36.8367   10.5769 C   0  0  0  0  0
   17.9574  -36.9815   11.7132 C   0  0  0  0  0
   17.9436  -35.6290   12.4110 C   0  0  0  0  0
   16.4928  -35.2136   12.3038 C   0  0  0  0  0
   16.0736  -35.7119   11.0063 N   0  0  0  0  0
   14.8427  -35.3302   10.5067 C   0  0  0  0  0
   14.0452  -34.6927   11.2014 O   0  0  0  0  0
   14.5367  -35.6221    9.0245 C   0  0  0  0  0
   14.1280  -37.0795    8.7758 C   0  0  0  0  0
   12.6319  -37.0175    8.5044 C   0  0  0  0  0
   12.4884  -35.6966    7.7833 C   0  0  0  0  0
   13.4312  -34.8269    8.4610 N   0  0  0  0  0
   13.5330  -33.5171    8.0345 C   0  0  0  0  0
   12.9979  -33.1633    6.9766 O   0  0  0  0  0
   14.2225  -32.4630    8.9517 C   0  0  0  0  0
   15.7482  -32.4453    8.8184 C   0  0  0  0  0
   16.3849  -31.4064    9.7420 C   0  0  0  0  0
   17.8573  -31.6670    9.9281 C   0  0  0  0  0
   18.3280  -32.2224   10.9093 O   0  0  0  0  0
   18.6165  -31.2297    8.9008 O   0  0  0  0  0
   13.6770  -31.1629    8.5266 N   0  0  0  0  0
   12.4569  -30.6266    8.8127 C   0  0  0  0  0
   11.9783  -29.8727    7.9591 O   0  0  0  0  0
   11.7209  -30.8236   10.1587 C   0  0  0  0  0
   11.3159  -32.2659   10.4700 C   0  0  0  0  0
   10.1393  -32.3255   11.4437 C   0  0  0  0  0
    9.7461  -33.7538   11.6891 C   0  0  0  0  0
    9.2542  -34.5144   10.8724 O   0  0  0  0  0
   10.0173  -34.1628   12.9408 O   0  0  0  0  0
   12.5180  -30.2330   11.2299 N   0  0  0  0  0
   12.5882  -28.9398   11.6590 C   0  0  0  0  0
   13.5365  -28.6593   12.4005 O   0  0  0  0  0
   11.4990  -27.8865   11.3629 C   0  0  0  0  0
   11.2656  -27.5384    9.8912 C   0  0  0  0  0
   10.4877  -26.3387    9.8015 O   0  0  0  0  0
   10.2251  -28.2326   12.0511 N   0  0  0  0  0
   18.0208  -43.7769    8.9647 H   0  0  0  0  0
   17.9468  -42.9233    7.4150 H   0  0  0  0  0
   16.5284  -42.9709    8.4846 H   0  0  0  0  0
   19.1920  -41.7229    9.2788 H   0  0  0  0  0
   17.6842  -41.5995   10.1670 H   0  0  0  0  0
   18.1735  -40.3711    7.3902 H   0  0  0  0  0
   15.7778  -40.0737    9.2538 H   0  0  0  0  0
   15.8035  -40.9767    7.7286 H   0  0  0  0  0
   16.0205  -39.2394    7.7056 H   0  0  0  0  0
   17.9882  -39.1362   10.1660 H   0  0  0  0  0
   21.7530  -38.9610    8.7545 H   0  0  0  0  0
   21.8672  -39.2475    6.6216 H   0  0  0  0  0
   19.8956  -41.5267    6.7901 H   0  0  0  0  0
   21.2787  -41.5242    7.8962 H   0  0  0  0  0
   22.6109  -41.7414    6.2561 H   0  0  0  0  0
   20.5377  -40.4368    4.5809 H   0  0  0  0  0
   19.0637  -38.0266    3.6134 H   0  0  0  0  0
   21.2105  -39.7154    2.1935 H   0  0  0  0  0
   21.6581  -38.3648    3.2101 H   0  0  0  0  0
   19.9027  -38.1043    0.7368 H   0  0  0  0  0
   21.3695  -35.9861    2.4240 H   0  0  0  0  0
   19.6195  -36.2226    2.4122 H   0  0  0  0  0
   20.4399  -35.6714    0.9509 H   0  0  0  0  0
   22.8921  -37.5682    1.0791 H   0  0  0  0  0
   21.9277  -37.2003   -0.3624 H   0  0  0  0  0
   22.1631  -38.8804    0.1369 H   0  0  0  0  0
   17.0248  -40.6659    1.9740 H   0  0  0  0  0
   15.5561  -38.9970    1.9085 H   0  0  0  0  0
   17.3768  -36.9104    3.1878 H   0  0  0  0  0
   16.4647  -38.1077    4.1350 H   0  0  0  0  0
   14.0926  -35.6835    3.9923 H   0  0  0  0  0
   17.0984  -38.0089   -1.2673 H   0  0  0  0  0
   15.8200  -39.6349   -1.9681 H   0  0  0  0  0
   15.2160  -40.7558    0.7636 H   0  0  0  0  0
   16.6457  -41.1932   -0.1717 H   0  0  0  0  0
   13.7669  -41.4820   -1.1923 H   0  0  0  0  0
   16.4109  -42.6411   -2.2287 H   0  0  0  0  0
   15.3952  -41.4478   -3.0542 H   0  0  0  0  0
   14.8015  -43.0854   -2.8204 H   0  0  0  0  0
   15.5813  -43.5902    0.0885 H   0  0  0  0  0
   13.9925  -43.8861   -0.6409 H   0  0  0  0  0
   14.1222  -42.8898    0.8133 H   0  0  0  0  0
   12.8120  -37.6536   -1.5577 H   0  0  0  0  0
   13.4559  -37.2334   -3.6894 H   0  0  0  0  0
   13.7449  -35.3531   -2.3102 H   0  0  0  0  0
   16.7399  -35.9055   -2.1631 H   0  0  0  0  0
   15.5896  -35.9733   -0.7967 H   0  0  0  0  0
   15.9036  -34.4610   -1.6534 H   0  0  0  0  0
   14.1846  -35.3341   -4.6012 H   0  0  0  0  0
   15.8789  -39.4766   -5.0682 H   0  0  0  0  0
   14.0257  -40.3461   -5.8623 H   0  0  0  0  0
   12.1644  -38.7309   -4.0536 H   0  0  0  0  0
   12.8559  -40.2737   -3.6138 H   0  0  0  0  0
   12.1781  -42.3472   -4.8908 H   0  0  0  0  0
   10.3071  -43.4452   -6.0598 H   0  0  0  0  0
    8.4728  -42.0899   -7.0396 H   0  0  0  0  0
    8.5174  -39.6188   -6.8356 H   0  0  0  0  0
   10.3809  -38.4988   -5.6733 H   0  0  0  0  0
   13.5159  -37.7094   -8.2996 H   0  0  0  0  0
   14.1268  -39.3702   -9.5747 H   0  0  0  0  0
   15.7987  -40.3311   -7.2085 H   0  0  0  0  0
   16.2449  -39.0663   -8.3391 H   0  0  0  0  0
   17.9750  -41.9933   -8.0464 H   0  0  0  0  0
   18.1382  -43.3491  -10.1962 H   0  0  0  0  0
   16.3786  -42.6529  -11.8928 H   0  0  0  0  0
   11.6507  -41.9338   -8.7673 H   0  0  0  0  0
   10.6292  -40.9302  -10.4080 H   0  0  0  0  0
   11.9617  -38.2784   -9.7578 H   0  0  0  0  0
   10.7171  -38.9590   -8.7273 H   0  0  0  0  0
   10.3373  -38.4165  -11.7210 H   0  0  0  0  0
    8.3112  -38.9707   -9.4847 H   0  0  0  0  0
    8.6873  -40.0461  -10.8405 H   0  0  0  0  0
    7.9036  -38.5000  -11.1422 H   0  0  0  0  0
    9.5623  -36.6653   -9.3299 H   0  0  0  0  0
    9.1357  -36.3628  -11.0242 H   0  0  0  0  0
   10.8285  -36.3074  -10.5185 H   0  0  0  0  0
   13.2787  -41.2818  -12.9237 H   0  0  0  0  0
   12.2590  -43.1879  -13.2162 H   0  0  0  0  0
   11.2631  -43.2840  -10.3516 H   0  0  0  0  0
   12.9716  -43.4869  -10.7149 H   0  0  0  0  0
   10.7763  -45.1941  -12.0011 H   0  0  0  0  0
   13.7976  -45.6404  -11.6868 H   0  0  0  0  0
   12.9638  -45.2656  -13.2022 H   0  0  0  0  0
   12.6516  -46.7952  -12.3854 H   0  0  0  0  0
   12.4142  -45.7814   -9.4782 H   0  0  0  0  0
   11.3195  -46.9134  -10.2933 H   0  0  0  0  0
   10.6737  -45.4507   -9.5394 H   0  0  0  0  0
    8.9190  -41.8436  -13.9556 H   0  0  0  0  0
    9.9028  -41.3278  -15.8579 H   0  0  0  0  0
   12.7615  -41.9171  -15.1150 H   0  0  0  0  0
   11.9807  -40.4389  -14.5085 H   0  0  0  0  0
   11.4139  -39.6913  -16.7074 H   0  0  0  0  0
   11.9954  -41.1969  -17.4251 H   0  0  0  0  0
   13.9216  -39.5289  -15.7810 H   0  0  0  0  0
   13.5020  -38.9733  -17.3975 H   0  0  0  0  0
   15.4183  -40.7296  -16.9477 H   0  0  0  0  0
   12.9198  -40.2941  -19.1825 H   0  0  0  0  0
   15.7323  -42.6555  -18.2945 H   0  0  0  0  0
   15.5293  -42.2258  -19.8915 H   0  0  0  0  0
   10.1275  -44.7394  -17.1143 H   0  0  0  0  0
    8.7135  -43.8377  -18.5039 H   0  0  0  0  0
    8.2208  -41.3155  -16.9181 H   0  0  0  0  0
    7.5617  -42.8693  -16.4270 H   0  0  0  0  0
    6.4765  -43.1136  -18.6607 H   0  0  0  0  0
    7.1810  -41.5559  -19.1730 H   0  0  0  0  0
    3.9625  -40.7573  -18.1151 H   0  0  0  0  0
   11.4148  -41.9794  -20.2046 H   0  0  0  0  0
   11.3693  -43.9827  -21.2384 H   0  0  0  0  0
   13.3540  -43.6816  -20.0674 H   0  0  0  0  0
   12.3005  -45.2864  -17.6993 H   0  0  0  0  0
   12.6503  -43.5399  -17.7200 H   0  0  0  0  0
   13.9438  -44.7060  -17.9456 H   0  0  0  0  0
   12.5728  -46.6320  -19.9370 H   0  0  0  0  0
   14.1994  -45.9587  -20.0937 H   0  0  0  0  0
   13.0337  -45.7490  -21.4045 H   0  0  0  0  0
    8.4715  -45.9888  -20.4816 H   0  0  0  0  0
    7.7658  -44.9467  -22.2995 H   0  0  0  0  0
    9.9526  -42.8588  -22.3672 H   0  0  0  0  0
    8.6048  -42.7196  -21.2386 H   0  0  0  0  0
    8.1542  -43.0985  -24.2277 H   0  0  0  0  0
    6.4253  -41.8363  -22.0199 H   0  0  0  0  0
    6.1689  -43.4496  -22.6914 H   0  0  0  0  0
    5.9740  -42.0291  -23.7208 H   0  0  0  0  0
    8.4880  -40.4619  -22.7042 H   0  0  0  0  0
    7.9445  -40.6264  -24.3843 H   0  0  0  0  0
    9.5864  -41.1062  -23.9374 H   0  0  0  0  0
   10.0509  -46.9010  -24.3861 H   0  0  0  0  0
    8.2912  -48.2401  -24.3213 H   0  0  0  0  0
    6.7865  -46.7508  -22.1509 H   0  0  0  0  0
    8.1531  -47.7941  -21.7551 H   0  0  0  0  0
    7.0592  -49.6971  -22.8567 H   0  0  0  0  0
    5.6649  -48.6636  -23.3038 H   0  0  0  0  0
    5.3775  -50.8526  -22.0015 H   0  0  0  0  0
    6.3316  -46.1107  -26.5307 H   0  0  0  0  0
    6.6113  -47.8833  -27.8084 H   0  0  0  0  0
    8.9951  -48.8079  -26.1505 H   0  0  0  0  0
    9.0584  -47.4992  -27.3272 H   0  0  0  0  0
    8.2413  -49.0746  -29.1068 H   0  0  0  0  0
    8.1865  -50.3909  -27.9106 H   0  0  0  0  0
   11.2851  -51.3149  -30.1090 H   0  0  0  0  0
    9.7836  -50.5425  -30.6559 H   0  0  0  0  0
    9.7300  -51.8639  -29.4528 H   0  0  0  0  0
    4.5378  -50.1251  -25.8132 H   0  0  0  0  0
    2.9587  -48.9479  -26.7592 H   0  0  0  0  0
    4.7711  -46.7770  -27.8849 H   0  0  0  0  0
    4.0717  -46.7158  -26.2434 H   0  0  0  0  0
    3.0530  -46.7276  -27.6760 H   0  0  0  0  0
    3.2196  -49.8757  -30.2867 H   0  0  0  0  0
    1.0117  -49.7237  -30.0430 H   0  0  0  0  0
    1.5136  -50.4702  -27.1301 H   0  0  0  0  0
    1.7343  -51.5703  -28.4803 H   0  0  0  0  0
   -0.6390  -51.2692  -29.1539 H   0  0  0  0  0
   -0.8935  -50.1186  -27.8508 H   0  0  0  0  0
   -0.3291  -51.8472  -26.1594 H   0  0  0  0  0
   -0.0487  -53.0433  -27.4187 H   0  0  0  0  0
   -2.4405  -52.4854  -26.2352 H   0  0  0  0  0
   -1.2646  -53.4761  -29.2676 H   0  0  0  0  0
   -4.4487  -52.6895  -27.4142 H   0  0  0  0  0
   -4.4003  -54.0482  -28.3726 H   0  0  0  0  0
    0.5773  -46.2663  -28.8825 H   0  0  0  0  0
    0.8281  -45.9109  -31.0621 H   0  0  0  0  0
    1.4882  -48.7747  -31.8126 H   0  0  0  0  0
    2.7033  -47.5236  -31.4582 H   0  0  0  0  0
    1.5619  -47.3412  -32.7959 H   0  0  0  0  0
   -2.5741  -46.9939  -31.7639 H   0  0  0  0  0
   -2.5718  -44.9206  -32.5431 H   0  0  0  0  0
   -0.1221  -44.1770  -30.9071 H   0  0  0  0  0
   -1.7362  -44.3390  -30.2437 H   0  0  0  0  0
   -2.5684  -42.6209  -31.8631 H   0  0  0  0  0
   -0.9258  -42.4907  -32.5542 H   0  0  0  0  0
   -1.6315  -40.3625  -31.9602 H   0  0  0  0  0
   -0.3219  -45.6155  -35.3404 H   0  0  0  0  0
   -2.2355  -46.2345  -36.2094 H   0  0  0  0  0
   -3.8008  -46.0633  -33.6005 H   0  0  0  0  0
   -2.9961  -47.5233  -34.1648 H   0  0  0  0  0
   -4.3522  -47.4167  -36.2498 H   0  0  0  0  0
   -5.1915  -45.9670  -35.6386 H   0  0  0  0  0
   -5.7014  -46.8187  -32.8785 H   0  0  0  0  0
   -6.7473  -48.1789  -33.0182 H   0  0  0  0  0
   -3.4646  -42.8482  -36.7244 H   0  0  0  0  0
   -3.2650  -43.6137  -38.7959 H   0  0  0  0  0
   -0.8695  -45.1428  -37.6958 H   0  0  0  0  0
   -0.8989  -43.4045  -37.9075 H   0  0  0  0  0
   -1.3082  -45.4312  -40.1757 H   0  0  0  0  0
   -0.9417  -42.3897  -40.2431 H   0  0  0  0  0
   -2.3769  -43.2939  -40.7600 H   0  0  0  0  0
   -0.8735  -43.4507  -41.6599 H   0  0  0  0  0
    1.1622  -43.7857  -39.4282 H   0  0  0  0  0
    0.9939  -44.8342  -40.8477 H   0  0  0  0  0
    0.9781  -45.5377  -39.2259 H   0  0  0  0  0
   -5.0694  -46.8129  -38.5189 H   0  0  0  0  0
   -6.8400  -45.3758  -38.3165 H   0  0  0  0  0
   -5.1781  -42.8941  -38.8315 H   0  0  0  0  0
   -5.7974  -43.4137  -37.2424 H   0  0  0  0  0
   -6.8965  -43.0266  -38.5670 H   0  0  0  0  0
   -6.7136  -45.9922  -41.8929 H   0  0  0  0  0
   -8.3863  -47.2895  -41.2187 H   0  0  0  0  0
   -7.2643  -47.3685  -38.3882 H   0  0  0  0  0
   -6.7619  -48.3815  -39.7246 H   0  0  0  0  0
   -9.4021  -48.9017  -39.8832 H   0  0  0  0  0
   -9.4098  -48.3174  -38.2188 H   0  0  0  0  0
   -7.3254  -49.3511  -36.8249 H   0  0  0  0  0
   -7.2206  -51.0472  -37.1011 H   0  0  0  0  0
  -10.4772  -44.4312  -40.2848 H   0  0  0  0  0
  -10.8373  -44.5097  -42.4839 H   0  0  0  0  0
   -8.6295  -46.5057  -43.0696 H   0  0  0  0  0
   -8.3684  -44.7670  -43.0125 H   0  0  0  0  0
  -10.0323  -44.4258  -44.8108 H   0  0  0  0  0
  -10.4455  -46.1440  -44.8041 H   0  0  0  0  0
   -8.7427  -47.7663  -45.3643 H   0  0  0  0  0
   -7.4711  -47.2333  -46.4231 H   0  0  0  0  0
  -12.9082  -47.4234  -41.6698 H   0  0  0  0  0
  -14.3914  -45.7624  -41.6085 H   0  0  0  0  0
  -12.4046  -43.4816  -41.7803 H   0  0  0  0  0
  -12.8810  -44.2600  -40.2567 H   0  0  0  0  0
  -14.0783  -43.4806  -41.3011 H   0  0  0  0  0
  -14.2081  -45.8815  -45.2599 H   0  0  0  0  0
  -16.0363  -47.0689  -44.8501 H   0  0  0  0  0
  -16.0872  -46.8516  -41.8270 H   0  0  0  0  0
  -14.9831  -47.9991  -42.5881 H   0  0  0  0  0
  -16.2167  -50.3048  -43.7450 H   0  0  0  0  0
  -18.6311  -51.0546  -43.4750 H   0  0  0  0  0
  -20.0853  -49.2238  -42.4668 H   0  0  0  0  0
  -17.6637  -43.8160  -44.7201 H   0  0  0  0  0
  -18.3422  -44.6630  -46.6741 H   0  0  0  0  0
  -16.0026  -46.5012  -47.1281 H   0  0  0  0  0
  -15.6251  -44.8001  -46.8037 H   0  0  0  0  0
  -15.9907  -45.3148  -49.0135 H   0  0  0  0  0
  -19.8563  -47.6812  -45.1894 H   0  0  0  0  0
  -21.3587  -46.1751  -44.5005 H   0  0  0  0  0
  -19.9599  -43.7069  -45.5988 H   0  0  0  0  0
  -19.6677  -44.3415  -43.9700 H   0  0  0  0  0
  -21.2077  -44.0885  -42.3309 H   0  0  0  0  0
  -22.6604  -43.2049  -42.6315 H   0  0  0  0  0
  -22.6843  -46.5499  -47.8623 H   0  0  0  0  0
  -24.0685  -47.7686  -46.6352 H   0  0  0  0  0
  -22.0937  -48.0882  -44.3434 H   0  0  0  0  0
  -21.9747  -49.0074  -45.8368 H   0  0  0  0  0
  -24.2029  -49.9541  -45.5088 H   0  0  0  0  0
  -24.5282  -48.8934  -44.1435 H   0  0  0  0  0
  -22.7318  -49.9283  -42.8193 H   0  0  0  0  0
  -22.2538  -50.9562  -44.1586 H   0  0  0  0  0
  -24.8669  -50.9885  -42.7471 H   0  0  0  0  0
  -23.1639  -52.4726  -45.2952 H   0  0  0  0  0
  -25.5698  -53.1922  -42.4712 H   0  0  0  0  0
  -25.8540  -53.8795  -43.9610 H   0  0  0  0  0
  -25.0611  -44.6110  -44.9807 H   0  0  0  0  0
  -26.5728  -44.7473  -46.5966 H   0  0  0  0  0
  -25.0813  -46.8549  -48.1957 H   0  0  0  0  0
  -24.6982  -45.1365  -48.2792 H   0  0  0  0  0
  -27.0668  -44.6454  -48.9005 H   0  0  0  0  0
  -27.4622  -46.3618  -48.7843 H   0  0  0  0  0
  -25.8070  -46.8661  -50.5916 H   0  0  0  0  0
  -25.4016  -45.1510  -50.7014 H   0  0  0  0  0
  -27.7831  -44.6281  -51.3215 H   0  0  0  0  0
  -28.1877  -46.3425  -51.2129 H   0  0  0  0  0
  -26.5607  -46.7612  -52.9304 H   0  0  0  0  0
  -26.1967  -45.1778  -53.0325 H   0  0  0  0  0
  -27.9609  -47.5563  -44.6681 H   0  0  0  0  0
  -28.8640  -45.8292  -43.5957 H   0  0  0  0  0
  -27.3372  -43.6765  -45.0818 H   0  0  0  0  0
  -26.6631  -44.4853  -43.6641 H   0  0  0  0  0
  -29.4164  -43.1865  -43.5864 H   0  0  0  0  0
  -27.3109  -43.6458  -41.3978 H   0  0  0  0  0
  -28.7045  -44.6951  -41.6599 H   0  0  0  0  0
  -28.9499  -43.0147  -41.1755 H   0  0  0  0  0
  -26.7271  -41.8146  -43.0778 H   0  0  0  0  0
  -28.3242  -41.1267  -42.7298 H   0  0  0  0  0
  -27.8526  -41.4598  -44.4006 H   0  0  0  0  0
  -31.2068  -45.6970  -46.3821 H   0  0  0  0  0
  -32.3573  -46.7413  -44.7708 H   0  0  0  0  0
  -29.8020  -47.7420  -43.4704 H   0  0  0  0  0
  -30.4420  -48.4125  -44.9716 H   0  0  0  0  0
  -32.5939  -48.9463  -43.8205 H   0  0  0  0  0
  -31.9838  -48.2256  -42.3151 H   0  0  0  0  0
  -31.9133  -51.9913  -41.4083 H   0  0  0  0  0
  -33.1325  -51.1338  -42.3724 H   0  0  0  0  0
  -32.4233  -50.3622  -40.9242 H   0  0  0  0  0
  -31.8430  -43.7986  -42.5478 H   0  0  0  0  0
  -33.5125  -42.9803  -43.7517 H   0  0  0  0  0
  -33.5410  -45.3756  -45.6561 H   0  0  0  0  0
  -32.6885  -43.8763  -45.9826 H   0  0  0  0  0
  -34.8064  -42.6202  -45.9461 H   0  0  0  0  0
  -35.7068  -44.0390  -45.4202 H   0  0  0  0  0
  -35.8061  -45.7800  -46.7384 H   0  0  0  0  0
  -34.8851  -45.2501  -41.2173 H   0  0  0  0  0
  -36.1727  -43.6522  -40.7750 H   0  0  0  0  0
  -34.5382  -42.6539  -39.6029 H   0  0  0  0  0
  -33.1990  -41.5349  -42.0980 H   0  0  0  0  0
  -32.6158  -42.8338  -41.0192 H   0  0  0  0  0
  -32.7116  -41.1989  -40.4373 H   0  0  0  0  0
  -36.4785  -41.1064  -40.2186 H   0  0  0  0  0
  -35.4101  -40.3108  -41.3662 H   0  0  0  0  0
  -34.8636  -40.5618  -38.3607 H   0  0  0  0  0
  -35.5744  -39.1500  -39.1588 H   0  0  0  0  0
  -33.9121  -39.6112  -39.5206 H   0  0  0  0  0
  -37.7910  -42.4995  -43.7653 H   0  0  0  0  0
  -39.4849  -43.2303  -42.7912 H   0  0  0  0  0
  -38.7084  -45.4489  -43.1779 H   0  0  0  0  0
  -37.6004  -45.4624  -40.3335 H   0  0  0  0  0
  -36.7562  -45.7336  -41.8788 H   0  0  0  0  0
  -37.8802  -46.9112  -41.3040 H   0  0  0  0  0
  -40.9460  -44.9980  -42.2524 H   0  0  0  0  0
  -40.3438  -45.1331  -40.6028 H   0  0  0  0  0
  -40.2253  -47.4370  -42.6100 H   0  0  0  0  0
  -41.5513  -47.1675  -41.4643 H   0  0  0  0  0
  -39.9376  -47.5157  -40.8569 H   0  0  0  0  0
  -40.1015  -41.7524  -39.9181 H   0  0  0  0  0
   18.5233  -37.5946    7.6679 H   0  0  0  0  0
   16.2967  -37.7270   10.5318 H   0  0  0  0  0
   18.9655  -37.2384   11.3795 H   0  0  0  0  0
   17.6230  -37.7568   12.4137 H   0  0  0  0  0
   18.2933  -35.6798   13.4456 H   0  0  0  0  0
   18.5820  -34.9252   11.8645 H   0  0  0  0  0
   15.8796  -35.7024   13.0701 H   0  0  0  0  0
   16.3504  -34.1310   12.3730 H   0  0  0  0  0
   15.4138  -35.3779    8.4259 H   0  0  0  0  0
   14.3480  -37.7642    9.5970 H   0  0  0  0  0
   14.6379  -37.4443    7.8765 H   0  0  0  0  0
   12.2715  -37.8634    7.9126 H   0  0  0  0  0
   12.0827  -36.9966    9.4532 H   0  0  0  0  0
   12.7815  -35.7830    6.7300 H   0  0  0  0  0
   11.4769  -35.2827    7.8388 H   0  0  0  0  0
   13.9388  -32.6258    9.9865 H   0  0  0  0  0
   16.0394  -32.2410    7.7800 H   0  0  0  0  0
   16.1660  -33.4250    9.0542 H   0  0  0  0  0
   15.9260  -31.4383   10.7378 H   0  0  0  0  0
   16.2422  -30.3861    9.3684 H   0  0  0  0  0
   18.1099  -30.8155    8.1771 H   0  0  0  0  0
   13.8732  -30.9544    7.5507 H   0  0  0  0  0
   10.7958  -30.2498   10.0700 H   0  0  0  0  0
   12.1414  -32.8250   10.9186 H   0  0  0  0  0
   11.0438  -32.7849    9.5435 H   0  0  0  0  0
    9.2625  -31.7987   11.0508 H   0  0  0  0  0
   10.3983  -31.8482   12.3959 H   0  0  0  0  0
    9.7600  -35.1085   12.9473 H   0  0  0  0  0
   13.3395  -30.7531   11.5201 H   0  0  0  0  0
   11.8437  -26.9609   11.8450 H   0  0  0  0  0
   10.6987  -28.3032    9.3609 H   0  0  0  0  0
   12.2113  -27.3754    9.3662 H   0  0  0  0  0
    9.7250  -26.4897   10.3931 H   0  0  0  0  0
   10.3973  -28.1714   13.0573 H   0  0  0  0  0
   10.0070  -29.2115   11.8769 H   0  0  0  0  0
  1  2  1  0  0  0
  1334  1  0  0  0
  1335  1  0  0  0
  1336  1  0  0  0
  2  3  1  0  0  0
  2337  1  0  0  0
  2338  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3339  1  0  0  0
  4340  1  0  0  0
  4341  1  0  0  0
  4342  1  0  0  0
  5295  1  0  0  0
  5  6  1  0  0  0
  5343  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8344  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9345  1  0  0  0
 10 11  1  0  0  0
 10346  1  0  0  0
 10347  1  0  0  0
 11348  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14349  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15350  1  0  0  0
 16 17  1  0  0  0
 16351  1  0  0  0
 16352  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17353  1  0  0  0
 18354  1  0  0  0
 18355  1  0  0  0
 18356  1  0  0  0
 19357  1  0  0  0
 19358  1  0  0  0
 19359  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22360  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23361  1  0  0  0
 24 25  1  0  0  0
 24362  1  0  0  0
 24363  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27364  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30365  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31366  1  0  0  0
 32 33  1  0  0  0
 32367  1  0  0  0
 32368  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33369  1  0  0  0
 34370  1  0  0  0
 34371  1  0  0  0
 34372  1  0  0  0
 35373  1  0  0  0
 35374  1  0  0  0
 35375  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 39  1  0  0  0
 38376  1  0  0  0
 39 43  1  0  0  0
 39 40  1  0  0  0
 39377  1  0  0  0
 40 42  1  0  0  0
 40 41  1  0  0  0
 40378  1  0  0  0
 41379  1  0  0  0
 41380  1  0  0  0
 41381  1  0  0  0
 42382  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45383  1  0  0  0
 46 54  1  0  0  0
 46 47  1  0  0  0
 46384  1  0  0  0
 47 48  1  0  0  0
 47385  1  0  0  0
 47386  1  0  0  0
 48 49  2  0  0  0
 48 53  1  0  0  0
 49 50  1  0  0  0
 49387  1  0  0  0
 50 51  2  0  0  0
 50388  1  0  0  0
 51 52  1  0  0  0
 51389  1  0  0  0
 52 53  2  0  0  0
 52390  1  0  0  0
 53391  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56 57  1  0  0  0
 56392  1  0  0  0
 57 64  1  0  0  0
 57 58  1  0  0  0
 57393  1  0  0  0
 58 59  1  0  0  0
 58394  1  0  0  0
 58395  1  0  0  0
 59 60  2  0  0  0
 59 63  1  0  0  0
 60 61  1  0  0  0
 60396  1  0  0  0
 61 62  1  0  0  0
 61397  1  0  0  0
 62 63  2  0  0  0
 62398  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 66 67  1  0  0  0
 66399  1  0  0  0
 67 72  1  0  0  0
 67 68  1  0  0  0
 67400  1  0  0  0
 68 69  1  0  0  0
 68401  1  0  0  0
 68402  1  0  0  0
 69 71  1  0  0  0
 69 70  1  0  0  0
 69403  1  0  0  0
 70404  1  0  0  0
 70405  1  0  0  0
 70406  1  0  0  0
 71407  1  0  0  0
 71408  1  0  0  0
 71409  1  0  0  0
 72 74  1  0  0  0
 72 73  2  0  0  0
 74 75  1  0  0  0
 74410  1  0  0  0
 75 80  1  0  0  0
 75 76  1  0  0  0
 75411  1  0  0  0
 76 77  1  0  0  0
 76412  1  0  0  0
 76413  1  0  0  0
 77 79  1  0  0  0
 77 78  1  0  0  0
 77414  1  0  0  0
 78415  1  0  0  0
 78416  1  0  0  0
 78417  1  0  0  0
 79418  1  0  0  0
 79419  1  0  0  0
 79420  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82 83  1  0  0  0
 82421  1  0  0  0
 83 91  1  0  0  0
 83 84  1  0  0  0
 83422  1  0  0  0
 84 85  1  0  0  0
 84423  1  0  0  0
 84424  1  0  0  0
 85 86  1  0  0  0
 85425  1  0  0  0
 85426  1  0  0  0
 86 87  1  0  0  0
 86427  1  0  0  0
 86428  1  0  0  0
 87 88  1  0  0  0
 87429  1  0  0  0
 88 90  1  0  0  0
 88 89  2  0  0  0
 89430  1  0  0  0
 90431  1  0  0  0
 90432  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93 94  1  0  0  0
 93433  1  0  0  0
 94100  1  0  0  0
 94 95  1  0  0  0
 94434  1  0  0  0
 95 96  1  0  0  0
 95435  1  0  0  0
 95436  1  0  0  0
 96 97  1  0  0  0
 96437  1  0  0  0
 96438  1  0  0  0
 97 99  1  0  0  0
 97 98  2  0  0  0
 99439  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
102103  1  0  0  0
102440  1  0  0  0
103107  1  0  0  0
103104  1  0  0  0
103441  1  0  0  0
104106  1  0  0  0
104105  1  0  0  0
104442  1  0  0  0
105443  1  0  0  0
105444  1  0  0  0
105445  1  0  0  0
106446  1  0  0  0
106447  1  0  0  0
106448  1  0  0  0
107109  1  0  0  0
107108  2  0  0  0
109110  1  0  0  0
109449  1  0  0  0
110115  1  0  0  0
110111  1  0  0  0
110450  1  0  0  0
111112  1  0  0  0
111451  1  0  0  0
111452  1  0  0  0
112114  1  0  0  0
112113  1  0  0  0
112453  1  0  0  0
113454  1  0  0  0
113455  1  0  0  0
113456  1  0  0  0
114457  1  0  0  0
114458  1  0  0  0
114459  1  0  0  0
115117  1  0  0  0
115116  2  0  0  0
117118  1  0  0  0
117460  1  0  0  0
118124  1  0  0  0
118119  1  0  0  0
118461  1  0  0  0
119120  1  0  0  0
119462  1  0  0  0
119463  1  0  0  0
120121  1  0  0  0
120464  1  0  0  0
120465  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123466  1  0  0  0
124126  1  0  0  0
124125  2  0  0  0
126127  1  0  0  0
126467  1  0  0  0
127132  1  0  0  0
127128  1  0  0  0
127468  1  0  0  0
128129  1  0  0  0
128469  1  0  0  0
128470  1  0  0  0
129130  1  0  0  0
129471  1  0  0  0
129472  1  0  0  0
130131  1  0  0  0
131473  1  0  0  0
131474  1  0  0  0
131475  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134135  1  0  0  0
134476  1  0  0  0
135137  1  0  0  0
135136  1  0  0  0
135477  1  0  0  0
136478  1  0  0  0
136479  1  0  0  0
136480  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139481  1  0  0  0
140148  1  0  0  0
140141  1  0  0  0
140482  1  0  0  0
141142  1  0  0  0
141483  1  0  0  0
141484  1  0  0  0
142143  1  0  0  0
142485  1  0  0  0
142486  1  0  0  0
143144  1  0  0  0
143487  1  0  0  0
143488  1  0  0  0
144145  1  0  0  0
144489  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
146490  1  0  0  0
147491  1  0  0  0
147492  1  0  0  0
148150  1  0  0  0
148149  2  0  0  0
150151  1  0  0  0
150493  1  0  0  0
151153  1  0  0  0
151152  1  0  0  0
151494  1  0  0  0
152495  1  0  0  0
152496  1  0  0  0
152497  1  0  0  0
153155  1  0  0  0
153154  2  0  0  0
155156  1  0  0  0
155498  1  0  0  0
156162  1  0  0  0
156157  1  0  0  0
156499  1  0  0  0
157158  1  0  0  0
157500  1  0  0  0
157501  1  0  0  0
158159  1  0  0  0
158502  1  0  0  0
158503  1  0  0  0
159161  1  0  0  0
159160  2  0  0  0
161504  1  0  0  0
162164  1  0  0  0
162163  2  0  0  0
164165  1  0  0  0
164505  1  0  0  0
165171  1  0  0  0
165166  1  0  0  0
165506  1  0  0  0
166167  1  0  0  0
166507  1  0  0  0
166508  1  0  0  0
167168  1  0  0  0
167509  1  0  0  0
167510  1  0  0  0
168170  1  0  0  0
168169  2  0  0  0
170511  1  0  0  0
170512  1  0  0  0
171173  1  0  0  0
171172  2  0  0  0
173174  1  0  0  0
173513  1  0  0  0
174179  1  0  0  0
174175  1  0  0  0
174514  1  0  0  0
175176  1  0  0  0
175515  1  0  0  0
175516  1  0  0  0
176178  1  0  0  0
176177  1  0  0  0
176517  1  0  0  0
177518  1  0  0  0
177519  1  0  0  0
177520  1  0  0  0
178521  1  0  0  0
178522  1  0  0  0
178523  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181182  1  0  0  0
181524  1  0  0  0
182184  1  0  0  0
182183  1  0  0  0
182525  1  0  0  0
183526  1  0  0  0
183527  1  0  0  0
183528  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186187  1  0  0  0
186529  1  0  0  0
187193  1  0  0  0
187188  1  0  0  0
187530  1  0  0  0
188189  1  0  0  0
188531  1  0  0  0
188532  1  0  0  0
189190  1  0  0  0
189533  1  0  0  0
189534  1  0  0  0
190192  1  0  0  0
190191  2  0  0  0
192535  1  0  0  0
192536  1  0  0  0
193195  1  0  0  0
193194  2  0  0  0
195196  1  0  0  0
195537  1  0  0  0
196202  1  0  0  0
196197  1  0  0  0
196538  1  0  0  0
197198  1  0  0  0
197539  1  0  0  0
197540  1  0  0  0
198199  1  0  0  0
198541  1  0  0  0
198542  1  0  0  0
199201  1  0  0  0
199200  2  0  0  0
201543  1  0  0  0
201544  1  0  0  0
202204  1  0  0  0
202203  2  0  0  0
204205  1  0  0  0
204545  1  0  0  0
205207  1  0  0  0
205206  1  0  0  0
205546  1  0  0  0
206547  1  0  0  0
206548  1  0  0  0
206549  1  0  0  0
207209  1  0  0  0
207208  2  0  0  0
209210  1  0  0  0
209550  1  0  0  0
210217  1  0  0  0
210211  1  0  0  0
210551  1  0  0  0
211212  1  0  0  0
211552  1  0  0  0
211553  1  0  0  0
212213  2  0  0  0
212216  1  0  0  0
213214  1  0  0  0
213554  1  0  0  0
214215  1  0  0  0
214555  1  0  0  0
215216  2  0  0  0
215556  1  0  0  0
217219  1  0  0  0
217218  2  0  0  0
219220  1  0  0  0
219557  1  0  0  0
220223  1  0  0  0
220221  1  0  0  0
220558  1  0  0  0
221222  1  0  0  0
221559  1  0  0  0
221560  1  0  0  0
222561  1  0  0  0
223225  1  0  0  0
223224  2  0  0  0
225226  1  0  0  0
225562  1  0  0  0
226231  1  0  0  0
226227  1  0  0  0
226563  1  0  0  0
227228  1  0  0  0
227564  1  0  0  0
227565  1  0  0  0
228230  1  0  0  0
228229  2  0  0  0
230566  1  0  0  0
230567  1  0  0  0
231233  1  0  0  0
231232  2  0  0  0
233234  1  0  0  0
233568  1  0  0  0
234242  1  0  0  0
234235  1  0  0  0
234569  1  0  0  0
235236  1  0  0  0
235570  1  0  0  0
235571  1  0  0  0
236237  1  0  0  0
236572  1  0  0  0
236573  1  0  0  0
237238  1  0  0  0
237574  1  0  0  0
237575  1  0  0  0
238239  1  0  0  0
238576  1  0  0  0
239241  1  0  0  0
239240  2  0  0  0
240577  1  0  0  0
241578  1  0  0  0
241579  1  0  0  0
242244  1  0  0  0
242243  2  0  0  0
244245  1  0  0  0
244580  1  0  0  0
245251  1  0  0  0
245246  1  0  0  0
245581  1  0  0  0
246247  1  0  0  0
246582  1  0  0  0
246583  1  0  0  0
247248  1  0  0  0
247584  1  0  0  0
247585  1  0  0  0
248249  1  0  0  0
248586  1  0  0  0
248587  1  0  0  0
249250  1  0  0  0
249588  1  0  0  0
249589  1  0  0  0
250590  1  0  0  0
250591  1  0  0  0
251253  1  0  0  0
251252  2  0  0  0
253254  1  0  0  0
253592  1  0  0  0
254259  1  0  0  0
254255  1  0  0  0
254593  1  0  0  0
255256  1  0  0  0
255594  1  0  0  0
255595  1  0  0  0
256258  1  0  0  0
256257  1  0  0  0
256596  1  0  0  0
257597  1  0  0  0
257598  1  0  0  0
257599  1  0  0  0
258600  1  0  0  0
258601  1  0  0  0
258602  1  0  0  0
259261  1  0  0  0
259260  2  0  0  0
261262  1  0  0  0
261603  1  0  0  0
262267  1  0  0  0
262263  1  0  0  0
262604  1  0  0  0
263264  1  0  0  0
263605  1  0  0  0
263606  1  0  0  0
264265  1  0  0  0
264607  1  0  0  0
264608  1  0  0  0
265266  1  0  0  0
266609  1  0  0  0
266610  1  0  0  0
266611  1  0  0  0
267269  1  0  0  0
267268  2  0  0  0
269270  1  0  0  0
269612  1  0  0  0
270276  1  0  0  0
270271  1  0  0  0
270613  1  0  0  0
271272  1  0  0  0
271614  1  0  0  0
271615  1  0  0  0
272273  1  0  0  0
272616  1  0  0  0
272617  1  0  0  0
273275  1  0  0  0
273274  2  0  0  0
275618  1  0  0  0
276278  1  0  0  0
276277  2  0  0  0
278279  1  0  0  0
278619  1  0  0  0
279284  1  0  0  0
279280  1  0  0  0
279620  1  0  0  0
280282  1  0  0  0
280281  1  0  0  0
280621  1  0  0  0
281622  1  0  0  0
281623  1  0  0  0
281624  1  0  0  0
282283  1  0  0  0
282625  1  0  0  0
282626  1  0  0  0
283627  1  0  0  0
283628  1  0  0  0
283629  1  0  0  0
284286  1  0  0  0
284285  2  0  0  0
286287  1  0  0  0
286630  1  0  0  0
287292  1  0  0  0
287288  1  0  0  0
287631  1  0  0  0
288290  1  0  0  0
288289  1  0  0  0
288632  1  0  0  0
289633  1  0  0  0
289634  1  0  0  0
289635  1  0  0  0
290291  1  0  0  0
290636  1  0  0  0
290637  1  0  0  0
291638  1  0  0  0
291639  1  0  0  0
291640  1  0  0  0
292294  1  0  0  0
292293  2  0  0  0
294641  1  0  0  0
295296  1  0  0  0
295642  1  0  0  0
296298  1  0  0  0
296297  2  0  0  0
298302  1  0  0  0
298299  1  0  0  0
298643  1  0  0  0
299300  1  0  0  0
299644  1  0  0  0
299645  1  0  0  0
300301  1  0  0  0
300646  1  0  0  0
300647  1  0  0  0
301302  1  0  0  0
301648  1  0  0  0
301649  1  0  0  0
302303  1  0  0  0
303305  1  0  0  0
303304  2  0  0  0
305309  1  0  0  0
305306  1  0  0  0
305650  1  0  0  0
306307  1  0  0  0
306651  1  0  0  0
306652  1  0  0  0
307308  1  0  0  0
307653  1  0  0  0
307654  1  0  0  0
308309  1  0  0  0
308655  1  0  0  0
308656  1  0  0  0
309310  1  0  0  0
310312  1  0  0  0
310311  2  0  0  0
312318  1  0  0  0
312313  1  0  0  0
312657  1  0  0  0
313314  1  0  0  0
313658  1  0  0  0
313659  1  0  0  0
314315  1  0  0  0
314660  1  0  0  0
314661  1  0  0  0
315317  1  0  0  0
315316  2  0  0  0
317662  1  0  0  0
318319  1  0  0  0
318663  1  0  0  0
319321  1  0  0  0
319320  2  0  0  0
321327  1  0  0  0
321322  1  0  0  0
321664  1  0  0  0
322323  1  0  0  0
322665  1  0  0  0
322666  1  0  0  0
323324  1  0  0  0
323667  1  0  0  0
323668  1  0  0  0
324326  1  0  0  0
324325  2  0  0  0
326669  1  0  0  0
327328  1  0  0  0
327670  1  0  0  0
328330  1  0  0  0
328329  2  0  0  0
330333  1  0  0  0
330331  1  0  0  0
330671  1  0  0  0
331332  1  0  0  0
331672  1  0  0  0
331673  1  0  0  0
332674  1  0  0  0
333675  1  0  0  0
333676  1  0  0  0
M  END

>  <Chemical Name>
UNII-D8690V3244

>  <PubChem CID>
134687557

>  <Formula>
C208H343N59O64S2

>  <Molecular Weight>
4758.501000

>  <IUPAC Name>


>  <XlogP>
-13.6

>  <Hydrogen Bond Donors>
67

>  <Hydrogen Bond Acceptors>
73

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC3=CNC=N3)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N

>  <InChI Std. ID>
InChI=1S/C208H343N59O64S2/c1-30-106(20)161(263-198(323)147-49-41-75-266(147)204(329)148-50-42-76-267(148)203(328)132(59-68-158(286)287)246-179(304)126(55-64-154(278)279)235-169(294)117(210)93-268)200(325)260-146(95-270)197(322)253-137(83-102(12)13)189(314)256-144(90-159(288)289)194(319)252-139(85-104(16)17)195(320)265-164(113(27)271)202(327)258-140(86-114-43-34-33-35-44-114)190(315)254-142(88-116-92-222-97-227-116)191(316)251-136(82-101(10)11)188(313)250-135(81-100(8)9)185(310)237-121(48-40-74-225-208(219)220)174(299)241-128(57-66-156(282)283)182(307)261-160(105(18)19)199(324)257-138(84-103(14)15)187(312)243-127(56-65-155(280)281)178(303)244-130(69-77-332-28)172(297)230-109(23)165(290)232-119(46-38-72-223-206(215)216)170(295)228-110(24)166(291)234-125(54-63-153(276)277)177(302)240-124(53-62-151(213)274)180(305)248-133(79-98(4)5)184(309)231-111(25)167(292)233-123(52-61-150(212)273)176(301)239-122(51-60-149(211)272)171(296)229-112(26)168(293)247-141(87-115-91-221-96-226-115)192(317)259-145(94-269)196(321)255-143(89-152(214)275)193(318)238-120(47-39-73-224-207(217)218)173(298)236-118(45-36-37-71-209)175(300)249-134(80-99(6)7)186(311)245-131(70-78-333-29)181(306)242-129(58-67-157(284)285)183(308)262-162(107(21)31-2)201(326)264-163(205(330)331)108(22)32-3/h33-35,43-44,91-92,96-113,117-148,160-164,268-271H,30-32,36-42,45-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,318)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,316)(H,252,319)(H,253,322)(H,254,315)(H,255,321)(H,256,314)(H,257,324)(H,258,327)(H,259,317)(H,260,325)(H,261,307)(H,262,308)(H,263,323)(H,264,326)(H,265,320)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,160-,161-,162-,163-,164-/m0/s1

>  <InChI Key>
PNMZQWKBJIQQJL-FAUHKOHMSA-N

