
 NPY2-36, porcine

568576  0  0  0  0  0  0  0  0999 V2000
   25.2861    2.3057   15.7985 C   0  0  0  0  0
   24.8887    3.1388   14.5872 C   0  0  0  0  0
   24.0441    4.3911   14.9334 C   0  0  0  0  0
   24.8333    5.3498   15.8321 C   0  0  0  0  0
   23.5342    5.0562   13.6217 C   0  0  0  0  0
   22.3763    4.2308   13.0070 C   0  0  0  0  0
   22.6188    3.5119   12.0271 O   0  0  0  0  0
   21.1239    4.1030   13.5157 N   0  0  0  0  0
   20.2578    4.8604   14.4446 C   0  0  0  0  0
   20.8000    5.1226   15.8448 C   0  0  0  0  0
   19.6709    5.5715   16.7487 C   0  0  0  0  0
   19.1804    6.6948   16.7068 O   0  0  0  0  0
   19.1887    4.6287   17.6060 N   0  0  0  0  0
   19.8413    6.1391   13.7065 C   0  0  0  0  0
   20.5892    7.1212   13.6986 O   0  0  0  0  0
   18.7296    6.1803   12.9127 N   0  0  0  0  0
   17.4596    5.4389   13.0642 C   0  0  0  0  0
   17.5329    3.9754   12.6026 C   0  0  0  0  0
   16.1485    3.3249   12.3832 C   0  0  0  0  0
   15.4520    3.8540   11.1275 C   0  0  0  0  0
   16.2980    1.8042   12.2752 C   0  0  0  0  0
   17.0203    5.6366   14.5268 C   0  0  0  0  0
   17.0284    4.7232   15.3505 O   0  0  0  0  0
   16.8598    6.9498   14.9340 N   0  0  0  0  0
   15.5332    7.6043   14.8694 C   0  0  0  0  0
   15.5586    8.8751   13.9633 C   0  0  0  0  0
   15.7732    8.6137   12.4720 C   0  0  0  0  0
   14.3025    9.7404   14.2090 C   0  0  0  0  0
   14.2543   11.0398   13.4160 C   0  0  0  0  0
   14.4124    6.5808   14.5691 C   0  0  0  0  0
   14.2072    6.1707   13.4220 O   0  0  0  0  0
   13.7422    5.9351   15.5642 N   0  0  0  0  0
   13.5852    6.1894   17.0114 C   0  0  0  0  0
   14.8707    6.1688   17.8781 C   0  0  0  0  0
   15.1134    7.3823   18.7687 C   0  0  0  0  0
   14.8550    5.0155   18.7451 O   0  0  0  0  0
   12.6913    7.4260   17.1724 C   0  0  0  0  0
   13.0582    8.5330   16.7701 O   0  0  0  0  0
   11.4331    7.3590   17.6794 N   0  0  0  0  0
   10.6633    6.2867   18.3255 C   0  0  0  0  0
   10.5173    5.0117   17.4848 C   0  0  0  0  0
    9.1905    4.2961   17.7613 C   0  0  0  0  0
    9.0127    3.0905   16.8384 C   0  0  0  0  0
    7.7421    2.4523   17.1634 N   0  0  0  0  0
    7.2818    1.5777   16.3517 C   0  0  0  0  0
    7.7986    1.1053   15.1964 N   0  0  0  0  0
    6.0950    0.9850   16.6012 N   0  0  0  0  0
   11.2873    6.0442   19.7129 C   0  0  0  0  0
   12.3688    5.4549   19.8303 O   0  0  0  0  0
   10.7424    6.5823   20.8405 N   0  0  0  0  0
    9.5515    7.4235   21.0524 C   0  0  0  0  0
    9.6404    8.7679   20.3185 C   0  0  0  0  0
    8.7022    9.8104   20.9279 C   0  0  0  0  0
    8.8319   11.1224   20.1934 C   0  0  0  0  0
    9.4734   12.0728   20.6223 O   0  0  0  0  0
    8.2238   11.1667   18.9747 N   0  0  0  0  0
    8.2850    6.6106   20.7171 C   0  0  0  0  0
    7.6129    6.8586   19.7113 O   0  0  0  0  0
    7.9157    5.5209   21.4572 N   0  0  0  0  0
    7.9959    5.3140   22.9158 C   0  0  0  0  0
    9.3980    5.3575   23.5318 C   0  0  0  0  0
    9.4365    4.6983   24.9147 C   0  0  0  0  0
   10.8265    4.7948   25.5401 C   0  0  0  0  0
   10.7960    4.2447   26.8897 N   0  0  0  0  0
   10.9974    2.9982   27.0805 C   0  0  0  0  0
   11.2378    2.0007   26.2029 N   0  0  0  0  0
   10.9625    2.5010   28.3354 N   0  0  0  0  0
    7.0346    6.3454   23.5384 C   0  0  0  0  0
    7.3207    7.5476   23.5463 O   0  0  0  0  0
    5.7926    5.9974   23.9782 N   0  0  0  0  0
    5.1366    4.6870   24.1429 C   0  0  0  0  0
    4.9350    3.8929   22.8422 C   0  0  0  0  0
    3.8919    2.8047   22.9872 C   0  0  0  0  0
    2.5351    3.0788   22.7685 C   0  0  0  0  0
    1.5776    2.0772   22.9420 C   0  0  0  0  0
    1.9711    0.8042   23.3370 C   0  0  0  0  0
    3.3108    0.5101   23.5554 C   0  0  0  0  0
    4.2687    1.5096   23.3761 C   0  0  0  0  0
    1.0013   -0.1393   23.5044 O   0  0  0  0  0
    5.8762    3.9179   25.2501 C   0  0  0  0  0
    6.5702    2.9261   25.0551 O   0  0  0  0  0
    5.7721    4.4554   26.5027 N   0  0  0  0  0
   23.2197    6.4764   13.7423 N   0  0  0  0  0
   23.7001    7.5446   13.0495 C   0  0  0  0  0
   23.0943    8.6181   13.1673 O   0  0  0  0  0
   24.9001    7.4667   12.0907 C   0  0  0  0  0
   26.1923    7.0026   12.7815 C   0  0  0  0  0
   27.4170    7.5274   12.0608 C   0  0  0  0  0
   27.8342    8.8515   12.2687 C   0  0  0  0  0
   28.9195    9.3695   11.5635 C   0  0  0  0  0
   29.5906    8.5675   10.6506 C   0  0  0  0  0
   29.2010    7.2494   10.4367 C   0  0  0  0  0
   28.1117    6.7298   11.1411 C   0  0  0  0  0
   30.6246    9.1261    9.9606 O   0  0  0  0  0
   24.5653    6.7011   10.8852 N   0  0  0  0  0
   23.8600    7.0823    9.7793 C   0  0  0  0  0
   23.9169    6.3288    8.8010 O   0  0  0  0  0
   22.8733    8.2765    9.7663 C   0  0  0  0  0
   21.5281    7.7581   10.3184 C   0  0  0  0  0
   20.5462    8.8376   10.6176 C   0  0  0  0  0
   19.6950    9.5769    9.8273 C   0  0  0  0  0
   18.9792   10.4675   10.5858 N   0  0  0  0  0
   19.3892   10.2849   11.8204 C   0  0  0  0  0
   20.3390    9.3082   11.8936 N   0  0  0  0  0
   23.3629    9.4653   10.4649 N   0  0  0  0  0
   24.1962   10.4629   10.0708 C   0  0  0  0  0
   24.6423   11.2041   10.9546 O   0  0  0  0  0
   24.7158   10.6169    8.6250 C   0  0  0  0  0
   25.8464    9.6064    8.3807 C   0  0  0  0  0
   26.7569   10.0363    7.2291 C   0  0  0  0  0
   27.8293    8.9859    6.9505 C   0  0  0  0  0
   28.6573    9.4430    5.8436 N   0  0  0  0  0
   29.8019    9.9635    6.0634 C   0  0  0  0  0
   30.4638   10.1953    7.2178 N   0  0  0  0  0
   30.5513   10.3784    5.0195 N   0  0  0  0  0
   23.6806   10.4997    7.6010 N   0  0  0  0  0
   22.7534   11.3833    7.1481 C   0  0  0  0  0
   21.8747   10.9193    6.4122 O   0  0  0  0  0
   22.7019   12.8730    7.5654 C   0  0  0  0  0
   22.1549   13.0187    8.9934 C   0  0  0  0  0
   21.6451   14.4352    9.3334 C   0  0  0  0  0
   20.3654   14.7898    8.5734 C   0  0  0  0  0
   21.3875   14.5411   10.8396 C   0  0  0  0  0
   23.9930   13.5449    7.4206 N   0  0  0  0  0
   24.5889   14.1317    6.3495 C   0  0  0  0  0
   25.7200   14.5987    6.5337 O   0  0  0  0  0
   23.8654   14.3993    5.0106 C   0  0  0  0  0
   23.1389   13.2229    4.3852 C   0  0  0  0  0
   22.9726   15.5444    5.2013 N   0  0  0  0  0
   23.2702   16.8738    5.1184 C   0  0  0  0  0
   22.6394   17.6363    5.8566 O   0  0  0  0  0
   24.3603   17.4229    4.1782 C   0  0  0  0  0
   25.7666   17.2263    4.7567 C   0  0  0  0  0
   26.6564   18.2330    4.2553 O   0  0  0  0  0
   24.2056   16.8773    2.8227 N   0  0  0  0  0
   24.5143   17.3750    1.6006 C   0  0  0  0  0
   24.4441   16.5781    0.6534 O   0  0  0  0  0
   25.0641   18.7924    1.3350 C   0  0  0  0  0
   24.3270   19.9421    2.0303 C   0  0  0  0  0
   24.4509   21.2363    1.2523 C   0  0  0  0  0
   23.5297   21.5486    0.2427 C   0  0  0  0  0
   23.6693   22.7229   -0.4981 C   0  0  0  0  0
   24.7261   23.5850   -0.2327 C   0  0  0  0  0
   25.6519   23.2922    0.7628 C   0  0  0  0  0
   25.5146   22.1163    1.5032 C   0  0  0  0  0
   24.8218   24.7213   -0.9799 O   0  0  0  0  0
   26.5027   18.7949    1.6031 N   0  0  0  0  0
   27.5170   18.4163    0.7688 C   0  0  0  0  0
   28.6416   18.2551    1.2492 O   0  0  0  0  0
   27.2475   18.2627   -0.7427 C   0  0  0  0  0
   27.2443   19.6517   -1.4061 C   0  0  0  0  0
   26.8813   19.5843   -2.8739 C   0  0  0  0  0
   25.5573   19.3452   -3.2676 C   0  0  0  0  0
   25.2337   19.2158   -4.6191 C   0  0  0  0  0
   26.2282   19.3373   -5.5804 C   0  0  0  0  0
   27.5449   19.5928   -5.2131 C   0  0  0  0  0
   27.8704   19.7138   -3.8598 C   0  0  0  0  0
   25.8733   19.1871   -6.8880 O   0  0  0  0  0
   28.2821   17.4033   -1.3354 N   0  0  0  0  0
   28.3071   16.0704   -1.5949 C   0  0  0  0  0
   29.3953   15.5870   -1.9303 O   0  0  0  0  0
   27.1038   15.1273   -1.3379 C   0  0  0  0  0
   27.1908   14.7439    0.1496 C   0  0  0  0  0
   26.2840   13.5811    0.5498 C   0  0  0  0  0
   26.4789   13.2646    2.0319 C   0  0  0  0  0
   25.5937   12.1802    2.4401 N   0  0  0  0  0
   26.0251   10.9769    2.4015 C   0  0  0  0  0
   27.2103   10.4876    1.9760 N   0  0  0  0  0
   25.2469    9.9612    2.8330 N   0  0  0  0  0
   25.7897   15.6639   -1.6781 N   0  0  0  0  0
   25.1577   15.8332   -2.8690 C   0  0  0  0  0
   24.0239   16.3276   -2.8314 O   0  0  0  0  0
   25.6989   15.2859   -4.2116 C   0  0  0  0  0
   27.1684   15.5177   -4.5056 C   0  0  0  0  0
   25.3100   13.8757   -4.3076 N   0  0  0  0  0
   24.8526   13.1228   -5.3411 C   0  0  0  0  0
   24.3422   12.0356   -5.0404 O   0  0  0  0  0
   25.1087   13.4358   -6.8379 C   0  0  0  0  0
   24.8137   14.8695   -7.2911 C   0  0  0  0  0
   24.5955   15.0266   -8.8121 C   0  0  0  0  0
   23.2657   14.4247   -9.2730 C   0  0  0  0  0
   24.6341   16.5114   -9.1890 C   0  0  0  0  0
   26.4877   13.0329   -7.1359 N   0  0  0  0  0
   26.9740   11.8141   -7.5105 C   0  0  0  0  0
   28.1539   11.5682   -7.2419 O   0  0  0  0  0
   26.1342   10.7797   -8.2860 C   0  0  0  0  0
   25.0354   10.1263   -7.4517 C   0  0  0  0  0
   24.8966    8.6962   -7.8798 C   0  0  0  0  0
   25.8250    7.9241   -8.0745 O   0  0  0  0  0
   23.6317    8.3570   -8.1816 O   0  0  0  0  0
   25.6556   11.3710   -9.5416 N   0  0  0  0  0
   25.9286   11.0672  -10.8406 C   0  0  0  0  0
   25.5569   11.8775  -11.6973 O   0  0  0  0  0
   26.6063    9.7549  -11.2979 C   0  0  0  0  0
   28.0937    9.6642  -10.9305 C   0  0  0  0  0
   28.7642    8.4618  -11.5938 C   0  0  0  0  0
   30.2498    8.4657  -11.3564 C   0  0  0  0  0
   31.0653    8.8089  -12.1975 O   0  0  0  0  0
   30.6050    8.0562  -10.1210 O   0  0  0  0  0
   25.8438    8.5975  -10.8419 N   0  0  0  0  0
   24.6659    8.0739  -11.2782 C   0  0  0  0  0
   24.1999    7.1474  -10.5976 O   0  0  0  0  0
   23.7993    8.6834  -12.4097 C   0  0  0  0  0
   22.7680    9.6242  -11.7872 C   0  0  0  0  0
   24.4708    9.3537  -13.5221 N   0  0  0  0  0
   24.6716    8.9370  -14.8110 C   0  0  0  0  0
   25.2973    9.6851  -15.5643 O   0  0  0  0  0
   24.1142    7.5694  -15.2908 C   0  0  0  0  0
   22.5805    7.6671  -15.3874 C   0  0  0  0  0
   22.3572    8.1969  -16.7955 C   0  0  0  0  0
   23.4010    7.4457  -17.5945 C   0  0  0  0  0
   24.5092    7.2082  -16.6728 N   0  0  0  0  0
   25.6268    6.5877  -17.1816 C   0  0  0  0  0
   25.6018    6.1602  -18.3538 O   0  0  0  0  0
   26.9020    6.2723  -16.3574 C   0  0  0  0  0
   27.2493    7.1024  -15.1350 C   0  0  0  0  0
   26.9622    4.8495  -16.0096 N   0  0  0  0  0
   27.5068    3.7930  -16.6726 C   0  0  0  0  0
   27.4546    2.6954  -16.1064 O   0  0  0  0  0
   28.1843    3.9389  -18.0560 C   0  0  0  0  0
   29.5342    4.6531  -17.9585 C   0  0  0  0  0
   29.7945    5.3431  -19.2632 C   0  0  0  0  0
   28.9580    5.9515  -19.9171 O   0  0  0  0  0
   31.0304    5.1298  -19.7372 O   0  0  0  0  0
   28.3752    2.5660  -18.5742 N   0  0  0  0  0
   28.0493    1.9257  -19.7242 C   0  0  0  0  0
   28.2475    0.7067  -19.7618 O   0  0  0  0  0
   27.4554    2.6233  -20.9678 C   0  0  0  0  0
   26.0451    3.1527  -20.6888 C   0  0  0  0  0
   25.3038    3.5517  -21.9606 C   0  0  0  0  0
   23.8722    3.9298  -21.6684 C   0  0  0  0  0
   22.9110    3.3049  -22.0939 O   0  0  0  0  0
   23.7364    5.0388  -20.9093 O   0  0  0  0  0
   28.3564    3.6506  -21.4806 N   0  0  0  0  0
   29.5046    3.4437  -22.1975 C   0  0  0  0  0
   30.3106    4.3779  -22.3040 O   0  0  0  0  0
   29.7697    2.0780  -22.8563 C   0  0  0  0  0
   31.0955    2.1145  -23.4636 N   0  0  0  0  0
   31.7778    0.9826  -23.8459 C   0  0  0  0  0
   31.2208   -0.1090  -23.9551 O   0  0  0  0  0
   33.2658    1.1991  -24.2389 C   0  0  0  0  0
   34.0231    2.1156  -23.2640 C   0  0  0  0  0
   34.4727    1.1577  -22.1726 C   0  0  0  0  0
   34.8718   -0.0713  -22.9657 C   0  0  0  0  0
   34.0314   -0.0571  -24.1597 N   0  0  0  0  0
   34.1441   -1.1167  -25.0279 C   0  0  0  0  0
   34.8984   -2.0560  -24.7277 O   0  0  0  0  0
   33.2822   -1.2482  -26.3246 C   0  0  0  0  0
   33.2801   -0.0830  -27.3062 C   0  0  0  0  0
   34.6427    0.5095  -27.5606 C   0  0  0  0  0
   35.7015   -0.0006  -27.2175 O   0  0  0  0  0
   34.6213    1.6875  -28.2507 N   0  0  0  0  0
   33.8016   -2.4606  -27.0248 N   0  0  0  0  0
   33.3306   -3.7265  -26.8249 C   0  0  0  0  0
   34.1174   -4.6343  -26.5397 O   0  0  0  0  0
   31.8261   -4.0215  -26.8208 C   0  0  0  0  0
   31.3969   -4.0663  -25.3525 C   0  0  0  0  0
   31.3959   -5.4942  -24.8732 C   0  0  0  0  0
   30.3701   -6.1013  -24.6025 O   0  0  0  0  0
   32.6150   -6.0673  -24.7836 O   0  0  0  0  0
   31.0438   -3.0820  -27.6251 N   0  0  0  0  0
   30.7414   -3.1656  -28.9514 C   0  0  0  0  0
   29.6518   -2.6570  -29.2490 O   0  0  0  0  0
   31.7243   -3.6525  -30.0716 C   0  0  0  0  0
   32.4853   -4.9588  -29.8738 C   0  0  0  0  0
   31.4384   -6.0226  -30.1652 C   0  0  0  0  0
   30.6654   -5.4241  -31.3279 C   0  0  0  0  0
   30.9017   -3.9864  -31.2576 N   0  0  0  0  0
   30.3053   -3.1875  -32.2075 C   0  0  0  0  0
   29.4584   -3.6694  -32.9725 O   0  0  0  0  0
   30.8101   -1.7546  -32.5135 C   0  0  0  0  0
   30.7609   -0.7531  -31.3628 C   0  0  0  0  0
   30.9748    0.6946  -31.8232 C   0  0  0  0  0
   31.0073    1.6361  -30.6162 C   0  0  0  0  0
   31.2271    3.0871  -31.0324 C   0  0  0  0  0
   31.3412    3.9227  -29.8378 N   0  0  0  0  0
   32.1578   -1.9039  -33.0691 N   0  0  0  0  0
   32.4725   -2.3481  -34.3235 C   0  0  0  0  0
   33.4576   -3.0889  -34.4088 O   0  0  0  0  0
   31.6464   -1.9954  -35.5797 C   0  0  0  0  0
   30.4445   -2.9181  -35.7827 C   0  0  0  0  0
   30.0541   -2.8951  -37.1619 O   0  0  0  0  0
   31.2599   -0.5823  -35.6300 N   0  0  0  0  0
   31.9353    0.4937  -36.1217 C   0  0  0  0  0
   31.5176    1.6010  -35.7616 O   0  0  0  0  0
   33.0933    0.3799  -37.1394 C   0  0  0  0  0
   34.2970   -0.4893  -36.7871 C   0  0  0  0  0
   34.4299   -1.4673  -37.9472 C   0  0  0  0  0
   33.7492   -0.7441  -39.0900 C   0  0  0  0  0
   32.5945   -0.0988  -38.4555 N   0  0  0  0  0
   25.7733    1.3811   15.4719 H   0  0  0  0  0
   24.4088    2.0334   16.3935 H   0  0  0  0  0
   25.9930    2.8383   16.4407 H   0  0  0  0  0
   24.3195    2.4886   13.9128 H   0  0  0  0  0
   25.7955    3.4368   14.0465 H   0  0  0  0  0
   23.1897    4.0393   15.5138 H   0  0  0  0  0
   25.7736    5.6524   15.3638 H   0  0  0  0  0
   25.0755    4.8802   16.7907 H   0  0  0  0  0
   24.2560    6.2487   16.0695 H   0  0  0  0  0
   24.3371    4.9823   12.8846 H   0  0  0  0  0
   20.5979    3.4983   12.8917 H   0  0  0  0  0
   19.3898    4.2188   14.5755 H   0  0  0  0  0
   21.5756    5.8897   15.8849 H   0  0  0  0  0
   21.2247    4.2022   16.2597 H   0  0  0  0  0
   19.3203    3.6401   17.4391 H   0  0  0  0  0
   18.3349    4.8729   18.0988 H   0  0  0  0  0
   18.6210    7.0961   12.4899 H   0  0  0  0  0
   16.7456    5.9593   12.4251 H   0  0  0  0  0
   18.0726    3.3675   13.3330 H   0  0  0  0  0
   18.1111    3.9161   11.6711 H   0  0  0  0  0
   15.5090    3.5334   13.2493 H   0  0  0  0  0
   16.0570    3.6724   10.2327 H   0  0  0  0  0
   15.2585    4.9278   11.1910 H   0  0  0  0  0
   14.4854    3.3583   10.9854 H   0  0  0  0  0
   15.3223    1.3254   12.1394 H   0  0  0  0  0
   16.9341    1.5259   11.4281 H   0  0  0  0  0
   16.7450    1.3912   13.1859 H   0  0  0  0  0
   17.2369    7.0295   15.8774 H   0  0  0  0  0
   15.3756    7.9740   15.8850 H   0  0  0  0  0
   16.4212    9.4739   14.2912 H   0  0  0  0  0
   14.9408    8.0678   12.0213 H   0  0  0  0  0
   16.6965    8.0652   12.2969 H   0  0  0  0  0
   15.8865    9.5518   11.9190 H   0  0  0  0  0
   14.2757   10.0136   15.2693 H   0  0  0  0  0
   13.3949    9.1639   13.9958 H   0  0  0  0  0
   15.1799   11.6110   13.5372 H   0  0  0  0  0
   13.4242   11.6610   13.7683 H   0  0  0  0  0
   14.0914   10.8544   12.3503 H   0  0  0  0  0
   13.0923    5.2644   15.1731 H   0  0  0  0  0
   13.0148    5.3188   17.3198 H   0  0  0  0  0
   15.7475    6.0224   17.2479 H   0  0  0  0  0
   14.2910    7.5297   19.4766 H   0  0  0  0  0
   15.2529    8.2977   18.1885 H   0  0  0  0  0
   16.0137    7.2286   19.3749 H   0  0  0  0  0
   14.0606    5.0899   19.3208 H   0  0  0  0  0
   11.0016    8.2768   17.6807 H   0  0  0  0  0
    9.6698    6.7135   18.4325 H   0  0  0  0  0
   11.3209    4.2978   17.6919 H   0  0  0  0  0
   10.5660    5.2646   16.4183 H   0  0  0  0  0
    8.3524    4.9877   17.6108 H   0  0  0  0  0
    9.1524    3.9731   18.8089 H   0  0  0  0  0
    9.8369    2.3833   16.9888 H   0  0  0  0  0
    9.0295    3.4338   15.7968 H   0  0  0  0  0
    8.7820    1.3006   15.0625 H   0  0  0  0  0
    7.6016    0.1208   15.0586 H   0  0  0  0  0
    5.6327    1.4515   17.3755 H   0  0  0  0  0
    5.4934    0.9694   15.7865 H   0  0  0  0  0
   11.3169    6.4116   21.6573 H   0  0  0  0  0
    9.5380    7.6560   22.1172 H   0  0  0  0  0
    9.4053    8.6630   19.2558 H   0  0  0  0  0
   10.6696    9.1477   20.3679 H   0  0  0  0  0
    8.9435    9.9838   21.9830 H   0  0  0  0  0
    7.6583    9.4804   20.8835 H   0  0  0  0  0
    7.5678   10.4612   18.6672 H   0  0  0  0  0
    8.2565   12.0449   18.4724 H   0  0  0  0  0
    7.0992    5.0984   21.0285 H   0  0  0  0  0
    7.6182    4.3050   23.0672 H   0  0  0  0  0
    9.7530    6.3835   23.6514 H   0  0  0  0  0
   10.1018    4.8306   22.8774 H   0  0  0  0  0
    9.1466    3.6451   24.8278 H   0  0  0  0  0
    8.7076    5.1783   25.5785 H   0  0  0  0  0
   11.1212    5.8482   25.6161 H   0  0  0  0  0
   11.5834    4.3188   24.9068 H   0  0  0  0  0
   11.4942    2.2965   25.2714 H   0  0  0  0  0
   11.8936    1.3175   26.5636 H   0  0  0  0  0
   10.6288    3.2124   28.9782 H   0  0  0  0  0
   10.3974    1.6634   28.4009 H   0  0  0  0  0
    5.2719    6.8058   24.3000 H   0  0  0  0  0
    4.1446    4.9306   24.5478 H   0  0  0  0  0
    5.8598    3.4277   22.4888 H   0  0  0  0  0
    4.6226    4.5725   22.0385 H   0  0  0  0  0
    2.2104    4.0698   22.4601 H   0  0  0  0  0
    0.5256    2.2887   22.7709 H   0  0  0  0  0
    3.6305   -0.4799   23.8657 H   0  0  0  0  0
    5.3162    1.2685   23.5531 H   0  0  0  0  0
    1.4229   -0.9697   23.7802 H   0  0  0  0  0
    5.3647    5.3639   26.6753 H   0  0  0  0  0
    6.3142    4.0265   27.2428 H   0  0  0  0  0
   22.3336    6.7357   14.1714 H   0  0  0  0  0
   25.0846    8.4931   11.7688 H   0  0  0  0  0
   26.2568    5.9113   12.8419 H   0  0  0  0  0
   26.2233    7.3710   13.8145 H   0  0  0  0  0
   27.3063    9.4974   12.9687 H   0  0  0  0  0
   29.2320   10.3979   11.7220 H   0  0  0  0  0
   29.7212    6.6191    9.7217 H   0  0  0  0  0
   27.8079    5.7017   10.9575 H   0  0  0  0  0
   31.0096    8.4556    9.3687 H   0  0  0  0  0
   25.1140    5.8696   10.6984 H   0  0  0  0  0
   22.7225    8.5457    8.7214 H   0  0  0  0  0
   21.6876    7.1546   11.2182 H   0  0  0  0  0
   21.0874    7.0651    9.5892 H   0  0  0  0  0
   19.5589    9.5190    8.7542 H   0  0  0  0  0
   19.0397   10.8188   12.6939 H   0  0  0  0  0
   20.7931    8.9685   12.7394 H   0  0  0  0  0
   23.1368    9.5282   11.4581 H   0  0  0  0  0
   25.1313   11.6240    8.5691 H   0  0  0  0  0
   25.4333    8.6172    8.1578 H   0  0  0  0  0
   26.4537    9.4984    9.2878 H   0  0  0  0  0
   27.2322   10.9945    7.4740 H   0  0  0  0  0
   26.1657   10.2017    6.3199 H   0  0  0  0  0
   27.3530    8.0443    6.6532 H   0  0  0  0  0
   28.4032    8.7595    7.8532 H   0  0  0  0  0
   29.8956   10.1699    8.0591 H   0  0  0  0  0
   30.9878   11.0632    7.1873 H   0  0  0  0  0
   30.1187   10.0834    4.1490 H   0  0  0  0  0
   31.5104   10.0611    5.0750 H   0  0  0  0  0
   23.5353    9.5827    7.1960 H   0  0  0  0  0
   22.0088   13.3503    6.8720 H   0  0  0  0  0
   22.9439   12.7655    9.7073 H   0  0  0  0  0
   21.3452   12.2959    9.1568 H   0  0  0  0  0
   22.4174   15.1697    9.0740 H   0  0  0  0  0
   19.5755   14.0550    8.7627 H   0  0  0  0  0
   20.5351   14.8351    7.4943 H   0  0  0  0  0
   19.9920   15.7723    8.8820 H   0  0  0  0  0
   20.6241   13.8255   11.1638 H   0  0  0  0  0
   21.0460   15.5469   11.1068 H   0  0  0  0  0
   22.3031   14.3405   11.4061 H   0  0  0  0  0
   24.6024   13.5488    8.2305 H   0  0  0  0  0
   24.6585   14.6791    4.3147 H   0  0  0  0  0
   22.1269   13.0936    4.7764 H   0  0  0  0  0
   23.6937   12.2914    4.5246 H   0  0  0  0  0
   23.0194   13.3903    3.3084 H   0  0  0  0  0
   22.2387   15.4030    5.8868 H   0  0  0  0  0
   24.1603   18.4915    4.1127 H   0  0  0  0  0
   26.1890   16.2572    4.4794 H   0  0  0  0  0
   25.7564   17.3151    5.8477 H   0  0  0  0  0
   27.5222   18.0551    4.6745 H   0  0  0  0  0
   23.8654   15.9238    2.7582 H   0  0  0  0  0
   24.9202   18.9326    0.2576 H   0  0  0  0  0
   24.7255   20.1244    3.0343 H   0  0  0  0  0
   23.2629   19.7038    2.1507 H   0  0  0  0  0
   22.6978   20.8829    0.0232 H   0  0  0  0  0
   22.9550   22.9655   -1.2800 H   0  0  0  0  0
   26.4811   23.9595    0.9750 H   0  0  0  0  0
   26.2462   21.8879    2.2762 H   0  0  0  0  0
   25.5905   25.2296   -0.6741 H   0  0  0  0  0
   26.7685   18.7593    2.5898 H   0  0  0  0  0
   26.2838   17.7886   -0.8766 H   0  0  0  0  0
   28.2276   20.1270   -1.2892 H   0  0  0  0  0
   26.5366   20.3224   -0.9061 H   0  0  0  0  0
   24.7665   19.2383   -2.5275 H   0  0  0  0  0
   24.2072   19.0164   -4.9146 H   0  0  0  0  0
   28.3296   19.6873   -5.9570 H   0  0  0  0  0
   28.9057   19.8960   -3.5796 H   0  0  0  0  0
   26.6310   19.4385   -7.4417 H   0  0  0  0  0
   29.2133   17.8030   -1.3673 H   0  0  0  0  0
   27.2535   14.2340   -1.9535 H   0  0  0  0  0
   26.9580   15.6126    0.7758 H   0  0  0  0  0
   28.2275   14.4700    0.3890 H   0  0  0  0  0
   26.5172   12.6998   -0.0590 H   0  0  0  0  0
   25.2330   13.8289    0.3616 H   0  0  0  0  0
   26.2235   14.1484    2.6270 H   0  0  0  0  0
   27.5307   13.0529    2.2590 H   0  0  0  0  0
   27.7409   11.1140    1.3865 H   0  0  0  0  0
   27.1171    9.5724    1.5512 H   0  0  0  0  0
   24.4114   10.3221    3.2822 H   0  0  0  0  0
   25.7491    9.3467    3.4649 H   0  0  0  0  0
   25.2070   15.9795   -0.8968 H   0  0  0  0  0
   25.1305   15.8452   -4.9584 H   0  0  0  0  0
   27.8062   14.7617   -4.0409 H   0  0  0  0  0
   27.4870   16.5101   -4.1779 H   0  0  0  0  0
   27.3681   15.4585   -5.5789 H   0  0  0  0  0
   25.0555   13.4462   -3.4224 H   0  0  0  0  0
   24.4326   12.7709   -7.3762 H   0  0  0  0  0
   25.6521   15.5168   -7.0158 H   0  0  0  0  0
   23.9250   15.2455   -6.7688 H   0  0  0  0  0
   25.4127   14.5292   -9.3475 H   0  0  0  0  0
   22.4201   14.8923   -8.7571 H   0  0  0  0  0
   23.2176   13.3483   -9.0889 H   0  0  0  0  0
   23.1272   14.5752  -10.3492 H   0  0  0  0  0
   23.8493   17.0741   -8.6719 H   0  0  0  0  0
   24.4934   16.6438  -10.2671 H   0  0  0  0  0
   25.6000   16.9547   -8.9245 H   0  0  0  0  0
   27.2009   13.5385   -6.6213 H   0  0  0  0  0
   26.8581   10.0141   -8.5541 H   0  0  0  0  0
   24.0746   10.6355   -7.5729 H   0  0  0  0  0
   25.2918   10.1073   -6.3882 H   0  0  0  0  0
   23.6975    7.5003   -8.6712 H   0  0  0  0  0
   25.2341   12.2885   -9.4663 H   0  0  0  0  0
   26.5679    9.7550  -12.3896 H   0  0  0  0  0
   28.2534    9.5887   -9.8533 H   0  0  0  0  0
   28.5994   10.5873  -11.2420 H   0  0  0  0  0
   28.6025    8.4829  -12.6779 H   0  0  0  0  0
   28.3525    7.5116  -11.2356 H   0  0  0  0  0
   29.8642    7.8095   -9.5348 H   0  0  0  0  0
   26.1732    8.1217  -10.0016 H   0  0  0  0  0
   23.2636    7.8234  -12.8211 H   0  0  0  0  0
   23.2376   10.5071  -11.3447 H   0  0  0  0  0
   22.2046    9.1225  -10.9930 H   0  0  0  0  0
   22.0541    9.9741  -12.5406 H   0  0  0  0  0
   24.8046   10.3035  -13.3634 H   0  0  0  0  0
   24.4294    6.7810  -14.6023 H   0  0  0  0  0
   22.1087    8.3208  -14.6497 H   0  0  0  0  0
   22.1374    6.6683  -15.2941 H   0  0  0  0  0
   21.3417    8.0259  -17.1625 H   0  0  0  0  0
   22.5554    9.2754  -16.8296 H   0  0  0  0  0
   23.0163    6.4732  -17.9248 H   0  0  0  0  0
   23.7424    8.0065  -18.4705 H   0  0  0  0  0
   27.7071    6.4699  -17.0715 H   0  0  0  0  0
   26.5770    6.9121  -14.2943 H   0  0  0  0  0
   27.2574    8.1687  -15.3640 H   0  0  0  0  0
   28.2536    6.8423  -14.7788 H   0  0  0  0  0
   26.4877    4.5551  -15.1631 H   0  0  0  0  0
   27.4874    4.4633  -18.7022 H   0  0  0  0  0
   30.3389    3.9362  -17.7548 H   0  0  0  0  0
   29.5724    5.4093  -17.1707 H   0  0  0  0  0
   30.9912    5.3746  -20.6944 H   0  0  0  0  0
   28.6456    1.8949  -17.8560 H   0  0  0  0  0
   27.3815    1.8463  -21.7394 H   0  0  0  0  0
   26.0759    4.0185  -20.0265 H   0  0  0  0  0
   25.4661    2.3875  -20.1560 H   0  0  0  0  0
   25.2872    2.7089  -22.6626 H   0  0  0  0  0
   25.7888    4.3877  -22.4749 H   0  0  0  0  0
   24.5654    5.4531  -20.5937 H   0  0  0  0  0
   28.2973    4.5862  -21.0791 H   0  0  0  0  0
   29.0345    1.8937  -23.6442 H   0  0  0  0  0
   29.7463    1.2777  -22.1129 H   0  0  0  0  0
   31.5356    3.0290  -23.4867 H   0  0  0  0  0
   33.2968    1.6167  -25.2442 H   0  0  0  0  0
   33.4548    2.9535  -22.8567 H   0  0  0  0  0
   34.9068    2.5307  -23.7661 H   0  0  0  0  0
   35.2935    1.5516  -21.5673 H   0  0  0  0  0
   33.6341    0.9253  -21.5054 H   0  0  0  0  0
   35.9189   -0.0132  -23.2859 H   0  0  0  0  0
   34.7267   -0.9964  -22.3984 H   0  0  0  0  0
   32.2594   -1.4486  -25.9983 H   0  0  0  0  0
   32.6078    0.7053  -26.9571 H   0  0  0  0  0
   32.8839   -0.4165  -28.2743 H   0  0  0  0  0
   33.7835    2.0897  -28.6559 H   0  0  0  0  0
   35.5105    2.1012  -28.5031 H   0  0  0  0  0
   34.8215   -2.4819  -26.9601 H   0  0  0  0  0
   31.6729   -5.0052  -27.2752 H   0  0  0  0  0
   30.3752   -3.6884  -25.2274 H   0  0  0  0  0
   32.0326   -3.4772  -24.6823 H   0  0  0  0  0
   33.3890   -5.5355  -25.0892 H   0  0  0  0  0
   30.2348   -2.6908  -27.1503 H   0  0  0  0  0
   32.4144   -2.8367  -30.2921 H   0  0  0  0  0
   32.9685   -5.1029  -28.9146 H   0  0  0  0  0
   33.2799   -5.0286  -30.6300 H   0  0  0  0  0
   31.8781   -6.9932  -30.4119 H   0  0  0  0  0
   30.7794   -6.1563  -29.3003 H   0  0  0  0  0
   31.0519   -5.7841  -32.2889 H   0  0  0  0  0
   29.5950   -5.6451  -31.2728 H   0  0  0  0  0
   30.1492   -1.3792  -33.2993 H   0  0  0  0  0
   31.5184   -0.9789  -30.6089 H   0  0  0  0  0
   29.7816   -0.8133  -30.8755 H   0  0  0  0  0
   30.1680    0.9898  -32.5049 H   0  0  0  0  0
   31.9175    0.7792  -32.3762 H   0  0  0  0  0
   31.8125    1.3237  -29.9395 H   0  0  0  0  0
   30.0674    1.5483  -30.0563 H   0  0  0  0  0
   30.3936    3.4388  -31.6505 H   0  0  0  0  0
   32.1456    3.1798  -31.6211 H   0  0  0  0  0
   31.4691    4.8920  -30.1358 H   0  0  0  0  0
   30.4464    3.9150  -29.3453 H   0  0  0  0  0
   32.8398   -2.2741  -32.4174 H   0  0  0  0  0
   32.3075   -2.1629  -36.4254 H   0  0  0  0  0
   29.5761   -2.6085  -35.1976 H   0  0  0  0  0
   30.6932   -3.9530  -35.5277 H   0  0  0  0  0
   29.7050   -2.0037  -37.3419 H   0  0  0  0  0
   30.5301   -0.2797  -34.9980 H   0  0  0  0  0
   33.4594    1.4066  -37.2791 H   0  0  0  0  0
   34.2339   -0.9917  -35.8223 H   0  0  0  0  0
   35.1981    0.1359  -36.7553 H   0  0  0  0  0
   35.4730   -1.7143  -38.1652 H   0  0  0  0  0
   33.9103   -2.4080  -37.7339 H   0  0  0  0  0
   34.4139    0.0135  -39.5217 H   0  0  0  0  0
   33.4400   -1.4231  -39.8900 H   0  0  0  0  0
   31.8738   -0.8040  -38.3015 H   0  0  0  0  0
  1  2  1  0  0  0
  1291  1  0  0  0
  1292  1  0  0  0
  1293  1  0  0  0
  2  3  1  0  0  0
  2294  1  0  0  0
  2295  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3296  1  0  0  0
  4297  1  0  0  0
  4298  1  0  0  0
  4299  1  0  0  0
  5 83  1  0  0  0
  5  6  1  0  0  0
  5300  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8301  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9302  1  0  0  0
 10 11  1  0  0  0
 10303  1  0  0  0
 10304  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13305  1  0  0  0
 13306  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16307  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17308  1  0  0  0
 18 19  1  0  0  0
 18309  1  0  0  0
 18310  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19311  1  0  0  0
 20312  1  0  0  0
 20313  1  0  0  0
 20314  1  0  0  0
 21315  1  0  0  0
 21316  1  0  0  0
 21317  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24318  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 25319  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26320  1  0  0  0
 27321  1  0  0  0
 27322  1  0  0  0
 27323  1  0  0  0
 28 29  1  0  0  0
 28324  1  0  0  0
 28325  1  0  0  0
 29326  1  0  0  0
 29327  1  0  0  0
 29328  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32329  1  0  0  0
 33 37  1  0  0  0
 33 34  1  0  0  0
 33330  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 34331  1  0  0  0
 35332  1  0  0  0
 35333  1  0  0  0
 35334  1  0  0  0
 36335  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39336  1  0  0  0
 40 48  1  0  0  0
 40 41  1  0  0  0
 40337  1  0  0  0
 41 42  1  0  0  0
 41338  1  0  0  0
 41339  1  0  0  0
 42 43  1  0  0  0
 42340  1  0  0  0
 42341  1  0  0  0
 43 44  1  0  0  0
 43342  1  0  0  0
 43343  1  0  0  0
 44 45  2  0  0  0
 45 47  1  0  0  0
 45 46  1  0  0  0
 46344  1  0  0  0
 46345  1  0  0  0
 47346  1  0  0  0
 47347  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50348  1  0  0  0
 51 57  1  0  0  0
 51 52  1  0  0  0
 51349  1  0  0  0
 52 53  1  0  0  0
 52350  1  0  0  0
 52351  1  0  0  0
 53 54  1  0  0  0
 53352  1  0  0  0
 53353  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56354  1  0  0  0
 56355  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59356  1  0  0  0
 60 68  1  0  0  0
 60 61  1  0  0  0
 60357  1  0  0  0
 61 62  1  0  0  0
 61358  1  0  0  0
 61359  1  0  0  0
 62 63  1  0  0  0
 62360  1  0  0  0
 62361  1  0  0  0
 63 64  1  0  0  0
 63362  1  0  0  0
 63363  1  0  0  0
 64 65  2  0  0  0
 65 67  1  0  0  0
 65 66  1  0  0  0
 66364  1  0  0  0
 66365  1  0  0  0
 67366  1  0  0  0
 67367  1  0  0  0
 68 70  1  0  0  0
 68 69  2  0  0  0
 70 71  1  0  0  0
 70368  1  0  0  0
 71 80  1  0  0  0
 71 72  1  0  0  0
 71369  1  0  0  0
 72 73  1  0  0  0
 72370  1  0  0  0
 72371  1  0  0  0
 73 74  2  0  0  0
 73 78  1  0  0  0
 74 75  1  0  0  0
 74372  1  0  0  0
 75 76  2  0  0  0
 75373  1  0  0  0
 76 77  1  0  0  0
 76 79  1  0  0  0
 77 78  2  0  0  0
 77374  1  0  0  0
 78375  1  0  0  0
 79376  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82377  1  0  0  0
 82378  1  0  0  0
 83 84  1  0  0  0
 83379  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 86 95  1  0  0  0
 86 87  1  0  0  0
 86380  1  0  0  0
 87 88  1  0  0  0
 87381  1  0  0  0
 87382  1  0  0  0
 88 89  2  0  0  0
 88 93  1  0  0  0
 89 90  1  0  0  0
 89383  1  0  0  0
 90 91  2  0  0  0
 90384  1  0  0  0
 91 92  1  0  0  0
 91 94  1  0  0  0
 92 93  2  0  0  0
 92385  1  0  0  0
 93386  1  0  0  0
 94387  1  0  0  0
 95 96  1  0  0  0
 95388  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98105  1  0  0  0
 98 99  1  0  0  0
 98389  1  0  0  0
 99100  1  0  0  0
 99390  1  0  0  0
 99391  1  0  0  0
100101  2  0  0  0
100104  1  0  0  0
101102  1  0  0  0
101392  1  0  0  0
102103  2  0  0  0
103104  1  0  0  0
103393  1  0  0  0
104394  1  0  0  0
105106  1  0  0  0
105395  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108116  1  0  0  0
108109  1  0  0  0
108396  1  0  0  0
109110  1  0  0  0
109397  1  0  0  0
109398  1  0  0  0
110111  1  0  0  0
110399  1  0  0  0
110400  1  0  0  0
111112  1  0  0  0
111401  1  0  0  0
111402  1  0  0  0
112113  2  0  0  0
113115  1  0  0  0
113114  1  0  0  0
114403  1  0  0  0
114404  1  0  0  0
115405  1  0  0  0
115406  1  0  0  0
116117  1  0  0  0
116407  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119124  1  0  0  0
119120  1  0  0  0
119408  1  0  0  0
120121  1  0  0  0
120409  1  0  0  0
120410  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
121411  1  0  0  0
122412  1  0  0  0
122413  1  0  0  0
122414  1  0  0  0
123415  1  0  0  0
123416  1  0  0  0
123417  1  0  0  0
124125  1  0  0  0
124418  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127129  1  0  0  0
127128  1  0  0  0
127419  1  0  0  0
128420  1  0  0  0
128421  1  0  0  0
128422  1  0  0  0
129130  1  0  0  0
129423  1  0  0  0
130132  1  0  0  0
130131  2  0  0  0
132135  1  0  0  0
132133  1  0  0  0
132424  1  0  0  0
133134  1  0  0  0
133425  1  0  0  0
133426  1  0  0  0
134427  1  0  0  0
135136  1  0  0  0
135428  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138147  1  0  0  0
138139  1  0  0  0
138429  1  0  0  0
139140  1  0  0  0
139430  1  0  0  0
139431  1  0  0  0
140141  2  0  0  0
140145  1  0  0  0
141142  1  0  0  0
141432  1  0  0  0
142143  2  0  0  0
142433  1  0  0  0
143144  1  0  0  0
143146  1  0  0  0
144145  2  0  0  0
144434  1  0  0  0
145435  1  0  0  0
146436  1  0  0  0
147148  1  0  0  0
147437  1  0  0  0
148150  1  0  0  0
148149  2  0  0  0
150159  1  0  0  0
150151  1  0  0  0
150438  1  0  0  0
151152  1  0  0  0
151439  1  0  0  0
151440  1  0  0  0
152153  2  0  0  0
152157  1  0  0  0
153154  1  0  0  0
153441  1  0  0  0
154155  2  0  0  0
154442  1  0  0  0
155156  1  0  0  0
155158  1  0  0  0
156157  2  0  0  0
156443  1  0  0  0
157444  1  0  0  0
158445  1  0  0  0
159160  1  0  0  0
159446  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162170  1  0  0  0
162163  1  0  0  0
162447  1  0  0  0
163164  1  0  0  0
163448  1  0  0  0
163449  1  0  0  0
164165  1  0  0  0
164450  1  0  0  0
164451  1  0  0  0
165166  1  0  0  0
165452  1  0  0  0
165453  1  0  0  0
166167  2  0  0  0
167169  1  0  0  0
167168  1  0  0  0
168454  1  0  0  0
168455  1  0  0  0
169456  1  0  0  0
169457  1  0  0  0
170171  1  0  0  0
170458  1  0  0  0
171173  1  0  0  0
171172  2  0  0  0
173175  1  0  0  0
173174  1  0  0  0
173459  1  0  0  0
174460  1  0  0  0
174461  1  0  0  0
174462  1  0  0  0
175176  1  0  0  0
175463  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178183  1  0  0  0
178179  1  0  0  0
178464  1  0  0  0
179180  1  0  0  0
179465  1  0  0  0
179466  1  0  0  0
180182  1  0  0  0
180181  1  0  0  0
180467  1  0  0  0
181468  1  0  0  0
181469  1  0  0  0
181470  1  0  0  0
182471  1  0  0  0
182472  1  0  0  0
182473  1  0  0  0
183184  1  0  0  0
183474  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186191  1  0  0  0
186187  1  0  0  0
186475  1  0  0  0
187188  1  0  0  0
187476  1  0  0  0
187477  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190478  1  0  0  0
191192  1  0  0  0
191479  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194200  1  0  0  0
194195  1  0  0  0
194480  1  0  0  0
195196  1  0  0  0
195481  1  0  0  0
195482  1  0  0  0
196197  1  0  0  0
196483  1  0  0  0
196484  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199485  1  0  0  0
200201  1  0  0  0
200486  1  0  0  0
201203  1  0  0  0
201202  2  0  0  0
203205  1  0  0  0
203204  1  0  0  0
203487  1  0  0  0
204488  1  0  0  0
204489  1  0  0  0
204490  1  0  0  0
205206  1  0  0  0
205491  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208212  1  0  0  0
208209  1  0  0  0
208492  1  0  0  0
209210  1  0  0  0
209493  1  0  0  0
209494  1  0  0  0
210211  1  0  0  0
210495  1  0  0  0
210496  1  0  0  0
211212  1  0  0  0
211497  1  0  0  0
211498  1  0  0  0
212213  1  0  0  0
213215  1  0  0  0
213214  2  0  0  0
215217  1  0  0  0
215216  1  0  0  0
215499  1  0  0  0
216500  1  0  0  0
216501  1  0  0  0
216502  1  0  0  0
217218  1  0  0  0
217503  1  0  0  0
218220  1  0  0  0
218219  2  0  0  0
220225  1  0  0  0
220221  1  0  0  0
220504  1  0  0  0
221222  1  0  0  0
221505  1  0  0  0
221506  1  0  0  0
222224  1  0  0  0
222223  2  0  0  0
224507  1  0  0  0
225226  1  0  0  0
225508  1  0  0  0
226228  1  0  0  0
226227  2  0  0  0
228234  1  0  0  0
228229  1  0  0  0
228509  1  0  0  0
229230  1  0  0  0
229510  1  0  0  0
229511  1  0  0  0
230231  1  0  0  0
230512  1  0  0  0
230513  1  0  0  0
231233  1  0  0  0
231232  2  0  0  0
233514  1  0  0  0
234235  1  0  0  0
234515  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237238  1  0  0  0
237516  1  0  0  0
237517  1  0  0  0
238239  1  0  0  0
238518  1  0  0  0
239241  1  0  0  0
239240  2  0  0  0
241245  1  0  0  0
241242  1  0  0  0
241519  1  0  0  0
242243  1  0  0  0
242520  1  0  0  0
242521  1  0  0  0
243244  1  0  0  0
243522  1  0  0  0
243523  1  0  0  0
244245  1  0  0  0
244524  1  0  0  0
244525  1  0  0  0
245246  1  0  0  0
246248  1  0  0  0
246247  2  0  0  0
248253  1  0  0  0
248249  1  0  0  0
248526  1  0  0  0
249250  1  0  0  0
249527  1  0  0  0
249528  1  0  0  0
250252  1  0  0  0
250251  2  0  0  0
252529  1  0  0  0
252530  1  0  0  0
253254  1  0  0  0
253531  1  0  0  0
254256  1  0  0  0
254255  2  0  0  0
256261  1  0  0  0
256257  1  0  0  0
256532  1  0  0  0
257258  1  0  0  0
257533  1  0  0  0
257534  1  0  0  0
258260  1  0  0  0
258259  2  0  0  0
260535  1  0  0  0
261262  1  0  0  0
261536  1  0  0  0
262264  1  0  0  0
262263  2  0  0  0
264268  1  0  0  0
264265  1  0  0  0
264537  1  0  0  0
265266  1  0  0  0
265538  1  0  0  0
265539  1  0  0  0
266267  1  0  0  0
266540  1  0  0  0
266541  1  0  0  0
267268  1  0  0  0
267542  1  0  0  0
267543  1  0  0  0
268269  1  0  0  0
269271  1  0  0  0
269270  2  0  0  0
271277  1  0  0  0
271272  1  0  0  0
271544  1  0  0  0
272273  1  0  0  0
272545  1  0  0  0
272546  1  0  0  0
273274  1  0  0  0
273547  1  0  0  0
273548  1  0  0  0
274275  1  0  0  0
274549  1  0  0  0
274550  1  0  0  0
275276  1  0  0  0
275551  1  0  0  0
275552  1  0  0  0
276553  1  0  0  0
276554  1  0  0  0
277278  1  0  0  0
277555  1  0  0  0
278280  1  0  0  0
278279  2  0  0  0
280283  1  0  0  0
280281  1  0  0  0
280556  1  0  0  0
281282  1  0  0  0
281557  1  0  0  0
281558  1  0  0  0
282559  1  0  0  0
283284  1  0  0  0
283560  1  0  0  0
284286  1  0  0  0
284285  2  0  0  0
286290  1  0  0  0
286287  1  0  0  0
286561  1  0  0  0
287288  1  0  0  0
287562  1  0  0  0
287563  1  0  0  0
288289  1  0  0  0
288564  1  0  0  0
288565  1  0  0  0
289290  1  0  0  0
289566  1  0  0  0
289567  1  0  0  0
290568  1  0  0  0
M  END

>  <Chemical Name>
NPY2-36, porcine

>  <PubChem CID>
91898408

>  <Formula>
C181H278N54O55

>  <Molecular Weight>
4090.538000

>  <IUPAC Name>


>  <XlogP>
-17.7

>  <Hydrogen Bond Donors>
58

>  <Hydrogen Bond Acceptors>
62

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C9CCCN9

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCCN9

>  <InChI Std. ID>
InChI=1S/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1

>  <InChI Key>
DWZUVGJMKKOCKN-XLUSCKSJSA-N

