
 AKOS024456450

651656  0  0  0  0  0  0  0  0999 V2000
  -11.5567  -13.4266  -28.5752 C   0  0  0  0  0
  -11.5871  -13.4484  -30.0979 C   0  0  0  0  0
  -12.2144  -14.7306  -30.6994 C   0  0  0  0  0
  -13.6818  -14.8758  -30.2706 C   0  0  0  0  0
  -12.0863  -14.7147  -32.2447 C   0  0  0  0  0
  -10.6286  -14.6918  -32.7572 C   0  0  0  0  0
  -10.1709  -13.6134  -33.1641 O   0  0  0  0  0
   -9.7492  -15.7202  -32.7307 N   0  0  0  0  0
   -9.7475  -17.1723  -32.4565 C   0  0  0  0  0
  -10.4132  -17.6367  -31.1545 C   0  0  0  0  0
  -10.1549  -19.0965  -30.8377 C   0  0  0  0  0
   -9.0020  -19.4865  -30.1443 C   0  0  0  0  0
   -8.7606  -20.8357  -29.8744 C   0  0  0  0  0
   -9.6634  -21.8075  -30.3020 C   0  0  0  0  0
  -10.8121  -21.4312  -30.9939 C   0  0  0  0  0
  -11.0590  -20.0834  -31.2581 C   0  0  0  0  0
  -10.3206  -17.9368  -33.6551 C   0  0  0  0  0
  -11.5367  -17.9310  -33.8659 O   0  0  0  0  0
   -9.5429  -18.6298  -34.5268 N   0  0  0  0  0
   -8.0811  -18.7044  -34.6864 C   0  0  0  0  0
   -7.4109  -17.3335  -34.9455 C   0  0  0  0  0
   -6.0953  -17.4907  -35.7030 C   0  0  0  0  0
   -8.2664  -16.4707  -35.7042 O   0  0  0  0  0
   -7.4461  -19.4277  -33.4858 C   0  0  0  0  0
   -6.8444  -18.8109  -32.6011 O   0  0  0  0  0
   -7.5742  -20.7678  -33.3017 N   0  0  0  0  0
   -7.8535  -21.8691  -34.2357 C   0  0  0  0  0
   -9.2572  -21.8457  -34.8222 C   0  0  0  0  0
   -9.6273  -23.2344  -35.2507 C   0  0  0  0  0
   -9.6023  -23.6685  -36.3887 O   0  0  0  0  0
   -9.9870  -24.0182  -34.2172 O   0  0  0  0  0
   -6.7549  -21.8496  -35.3168 C   0  0  0  0  0
   -6.9440  -21.3076  -36.4107 O   0  0  0  0  0
   -5.4844  -22.2728  -35.0701 N   0  0  0  0  0
   -4.8880  -23.0858  -33.9966 C   0  0  0  0  0
   -5.1255  -22.5946  -32.5631 C   0  0  0  0  0
   -4.1574  -23.0780  -31.6345 O   0  0  0  0  0
   -5.3296  -24.5480  -34.1626 C   0  0  0  0  0
   -6.5182  -24.8349  -34.3379 O   0  0  0  0  0
   -4.4402  -25.5776  -34.0864 N   0  0  0  0  0
   -2.9713  -25.6151  -34.1901 C   0  0  0  0  0
   -2.4420  -25.0555  -35.5244 C   0  0  0  0  0
   -1.0118  -25.4786  -35.7829 C   0  0  0  0  0
   -0.7306  -26.7610  -36.2754 C   0  0  0  0  0
    0.5901  -27.1680  -36.4678 C   0  0  0  0  0
    1.6311  -26.2986  -36.1673 C   0  0  0  0  0
    1.3744  -25.0221  -35.6800 C   0  0  0  0  0
    0.0526  -24.6135  -35.4881 C   0  0  0  0  0
    2.9046  -26.7428  -36.3633 O   0  0  0  0  0
   -2.2874  -24.9726  -32.9681 C   0  0  0  0  0
   -1.9460  -23.7827  -32.9685 O   0  0  0  0  0
   -2.1183  -25.6505  -31.8002 N   0  0  0  0  0
   -2.6157  -26.9570  -31.3370 C   0  0  0  0  0
   -4.1504  -27.0273  -31.2615 C   0  0  0  0  0
   -4.5739  -27.7453  -30.0989 O   0  0  0  0  0
   -2.0047  -28.1133  -32.1480 C   0  0  0  0  0
   -2.6252  -28.6665  -33.0617 O   0  0  0  0  0
   -0.7129  -28.5084  -31.9741 N   0  0  0  0  0
    0.2798  -28.2517  -30.9180 C   0  0  0  0  0
    0.6527  -26.7714  -30.7600 C   0  0  0  0  0
    2.0116  -26.5978  -30.0699 C   0  0  0  0  0
    2.3117  -25.1220  -29.8093 C   0  0  0  0  0
    3.6104  -24.9636  -29.1851 N   0  0  0  0  0
    4.7931  -25.0295  -29.8329 C   0  0  0  0  0
    5.0197  -24.9956  -31.0922 N   0  0  0  0  0
    5.8248  -25.1224  -28.9743 N   0  0  0  0  0
   -0.2180  -28.8823  -29.6013 C   0  0  0  0  0
   -0.8116  -28.2046  -28.7570 O   0  0  0  0  0
   -0.1379  -30.2184  -29.3578 N   0  0  0  0  0
    0.6745  -31.3013  -29.9427 C   0  0  0  0  0
    0.5057  -31.5189  -31.4525 C   0  0  0  0  0
    1.1023  -32.8209  -31.9415 C   0  0  0  0  0
    0.4749  -34.0439  -31.6697 C   0  0  0  0  0
    1.0410  -35.2416  -32.1100 C   0  0  0  0  0
    2.2283  -35.2194  -32.8305 C   0  0  0  0  0
    2.8610  -34.0160  -33.1220 C   0  0  0  0  0
    2.3011  -32.8187  -32.6710 C   0  0  0  0  0
    2.7551  -36.4120  -33.2300 O   0  0  0  0  0
    2.1458  -31.0701  -29.5611 C   0  0  0  0  0
    2.8044  -30.1779  -30.1059 O   0  0  0  0  0
    2.7457  -31.7638  -28.5562 N   0  0  0  0  0
    2.2357  -32.7062  -27.5543 C   0  0  0  0  0
    1.1590  -32.0778  -26.6520 C   0  0  0  0  0
    1.0125  -32.8526  -25.3362 C   0  0  0  0  0
   -0.0920  -32.2672  -24.4575 C   0  0  0  0  0
   -0.2178  -33.0277  -23.2285 N   0  0  0  0  0
    0.6507  -32.9670  -22.1962 C   0  0  0  0  0
    1.5335  -32.0756  -21.9427 N   0  0  0  0  0
    0.5015  -34.0092  -21.3586 N   0  0  0  0  0
    1.7728  -34.0428  -28.1712 C   0  0  0  0  0
    0.5756  -34.2636  -28.3829 O   0  0  0  0  0
    2.6468  -35.0246  -28.5120 N   0  0  0  0  0
    4.1152  -35.1034  -28.5295 C   0  0  0  0  0
    4.7199  -34.2152  -29.6244 C   0  0  0  0  0
    6.1179  -34.6847  -30.0428 C   0  0  0  0  0
    6.6633  -33.8305  -31.1894 C   0  0  0  0  0
    8.0606  -34.2861  -31.6039 C   0  0  0  0  0
    8.5305  -33.4956  -32.7363 N   0  0  0  0  0
    4.7280  -34.8497  -27.1392 C   0  0  0  0  0
    5.3511  -33.8094  -26.8979 O   0  0  0  0  0
    4.5448  -35.7026  -26.0955 N   0  0  0  0  0
    4.1517  -37.1168  -26.0058 C   0  0  0  0  0
    2.8350  -37.4968  -26.6877 C   0  0  0  0  0
    2.3007  -38.8520  -26.2232 C   0  0  0  0  0
    0.9776  -39.1530  -26.8836 C   0  0  0  0  0
   -0.1019  -38.9741  -26.3316 O   0  0  0  0  0
    1.0444  -39.5947  -28.1699 N   0  0  0  0  0
    5.3058  -37.9995  -26.5145 C   0  0  0  0  0
    5.7210  -37.8994  -27.6735 O   0  0  0  0  0
    5.8790  -38.9545  -25.7267 N   0  0  0  0  0
    6.0317  -39.0145  -24.2594 C   0  0  0  0  0
    6.7489  -37.7619  -23.7260 C   0  0  0  0  0
    7.2200  -37.9491  -22.2820 C   0  0  0  0  0
    8.1666  -36.4847  -21.7543 S   0  0  0  0  0
    8.4047  -36.9307  -20.0176 C   0  0  0  0  0
    4.7119  -39.3020  -23.5169 C   0  0  0  0  0
    4.1050  -38.4090  -22.9176 O   0  0  0  0  0
    4.1151  -40.5212  -23.5381 N   0  0  0  0  0
    4.5970  -41.8603  -23.8866 C   0  0  0  0  0
    5.1334  -42.0108  -25.3027 C   0  0  0  0  0
    5.6250  -42.3726  -22.8554 C   0  0  0  0  0
    6.5065  -41.6336  -22.4060 O   0  0  0  0  0
    5.6740  -43.6951  -22.5111 N   0  0  0  0  0
    4.5511  -44.6157  -22.2252 C   0  0  0  0  0
    3.8383  -44.2630  -20.8878 C   0  0  0  0  0
    3.0457  -42.9543  -20.8780 C   0  0  0  0  0
    2.9511  -45.4172  -20.4030 C   0  0  0  0  0
    3.6287  -44.8828  -23.4318 C   0  0  0  0  0
    2.4186  -44.6461  -23.3983 O   0  0  0  0  0
    4.1185  -45.2754  -24.6368 N   0  0  0  0  0
    5.1494  -46.2513  -25.0468 C   0  0  0  0  0
    6.2838  -46.5726  -24.0731 C   0  0  0  0  0
    7.3864  -47.4104  -24.7381 C   0  0  0  0  0
    8.5421  -47.6722  -23.7694 C   0  0  0  0  0
    9.6581  -48.4694  -24.4422 C   0  0  0  0  0
   10.7523  -48.6901  -23.5047 N   0  0  0  0  0
    4.3538  -47.5214  -25.4124 C   0  0  0  0  0
    3.9859  -48.3185  -24.5451 O   0  0  0  0  0
    3.9049  -47.7315  -26.6851 N   0  0  0  0  0
    4.1651  -47.0335  -27.9619 C   0  0  0  0  0
    3.6582  -45.5832  -27.9396 C   0  0  0  0  0
    3.5953  -44.9152  -29.3174 C   0  0  0  0  0
    2.9536  -43.5264  -29.1910 C   0  0  0  0  0
    3.0506  -42.7240  -30.4846 C   0  0  0  0  0
    2.3411  -41.4513  -30.3305 N   0  0  0  0  0
    5.6565  -47.1893  -28.3154 C   0  0  0  0  0
    6.4487  -46.2530  -28.1674 O   0  0  0  0  0
    6.1938  -48.3870  -28.6820 N   0  0  0  0  0
    5.6184  -49.6009  -29.3002 C   0  0  0  0  0
    4.4243  -50.2451  -28.5830 C   0  0  0  0  0
    4.0790  -51.6236  -29.1045 C   0  0  0  0  0
    4.7327  -52.7586  -28.6076 C   0  0  0  0  0
    4.4252  -54.0255  -29.1067 C   0  0  0  0  0
    3.4631  -54.1610  -30.0994 C   0  0  0  0  0
    2.8002  -53.0484  -30.6049 C   0  0  0  0  0
    3.1104  -51.7806  -30.1083 C   0  0  0  0  0
    3.1993  -55.4150  -30.5647 O   0  0  0  0  0
    5.2802  -49.2675  -30.7623 C   0  0  0  0  0
    4.3634  -48.4811  -31.0285 O   0  0  0  0  0
    6.0006  -49.7715  -31.8029 N   0  0  0  0  0
    7.2759  -50.5166  -31.8621 C   0  0  0  0  0
    8.4305  -49.7081  -31.2380 C   0  0  0  0  0
    9.8341  -50.1869  -31.6667 C   0  0  0  0  0
   10.1501  -49.8166  -33.1178 C   0  0  0  0  0
   10.8943  -49.5752  -30.7460 C   0  0  0  0  0
    7.1343  -51.9310  -31.2581 C   0  0  0  0  0
    7.5492  -52.1863  -30.1220 O   0  0  0  0  0
    6.4657  -52.9240  -31.9113 N   0  0  0  0  0
    6.1724  -53.1237  -33.3419 C   0  0  0  0  0
    5.3038  -52.0398  -33.9552 C   0  0  0  0  0
    7.4923  -53.3899  -34.0968 C   0  0  0  0  0
    8.5588  -52.9068  -33.6946 O   0  0  0  0  0
    7.5756  -54.1672  -35.2061 N   0  0  0  0  0
    6.6105  -54.6782  -36.1938 C   0  0  0  0  0
    5.3512  -55.3110  -35.6251 C   0  0  0  0  0
    6.2979  -53.5725  -37.2210 C   0  0  0  0  0
    6.2560  -52.3830  -36.8886 O   0  0  0  0  0
    5.9533  -53.8526  -38.5066 N   0  0  0  0  0
    6.2936  -54.9682  -39.4078 C   0  0  0  0  0
    7.7738  -54.9599  -39.8787 C   0  0  0  0  0
    8.8362  -55.2129  -38.8107 C   0  0  0  0  0
    7.9777  -55.9365  -41.0451 C   0  0  0  0  0
    5.7402  -56.3386  -38.9653 C   0  0  0  0  0
    6.4076  -57.1202  -38.2829 O   0  0  0  0  0
    4.4582  -56.7103  -39.2387 N   0  0  0  0  0
    3.3599  -56.0575  -39.9706 C   0  0  0  0  0
    2.9531  -54.6954  -39.3866 C   0  0  0  0  0
    1.5607  -54.2025  -39.8407 C   0  0  0  0  0
    0.4239  -55.0674  -39.2942 C   0  0  0  0  0
    1.3598  -52.7509  -39.3954 C   0  0  0  0  0
    3.6444  -55.9960  -41.4919 C   0  0  0  0  0
    3.9670  -54.9523  -42.0602 O   0  0  0  0  0
    3.5758  -57.1469  -42.2213 N   0  0  0  0  0
    3.2112  -58.4716  -41.7500 C   0  0  0  0  0
    3.4435  -59.4901  -42.8599 C   0  0  0  0  0
    3.1179  -59.2410  -44.0245 O   0  0  0  0  0
    3.9911  -60.7090  -42.6029 N   0  0  0  0  0
    4.8098  -61.1677  -41.4681 C   0  0  0  0  0
    6.0139  -60.2427  -41.2109 C   0  0  0  0  0
    7.1655  -60.9789  -40.5184 C   0  0  0  0  0
    8.3661  -60.0552  -40.3034 C   0  0  0  0  0
    9.5395  -60.8104  -39.6828 C   0  0  0  0  0
   10.6832  -59.9204  -39.5198 N   0  0  0  0  0
    3.9382  -61.4030  -40.2124 C   0  0  0  0  0
    3.6595  -60.4799  -39.4381 O   0  0  0  0  0
    3.3279  -62.5988  -39.9710 N   0  0  0  0  0
    3.4536  -63.9305  -40.5907 C   0  0  0  0  0
    3.1982  -63.9271  -42.1103 C   0  0  0  0  0
    2.5871  -65.2424  -42.5975 C   0  0  0  0  0
    2.3016  -65.2560  -44.0993 C   0  0  0  0  0
    1.5606  -66.4657  -44.4164 N   0  0  0  0  0
    1.4181  -66.9536  -45.6663 C   0  0  0  0  0
    2.2617  -66.9247  -46.6302 N   0  0  0  0  0
    0.2390  -67.5819  -45.8283 N   0  0  0  0  0
    4.8304  -64.5109  -40.2003 C   0  0  0  0  0
    5.8768  -63.9514  -40.5444 O   0  0  0  0  0
    4.9776  -65.6197  -39.4328 N   0  0  0  0  0
    4.0318  -66.5287  -38.7619 C   0  0  0  0  0
    3.2455  -65.8368  -37.6355 C   0  0  0  0  0
    2.7035  -66.8291  -36.6298 C   0  0  0  0  0
    3.5283  -67.3299  -35.6108 C   0  0  0  0  0
    3.0459  -68.2825  -34.7101 C   0  0  0  0  0
    1.7365  -68.7350  -34.8286 C   0  0  0  0  0
    0.9043  -68.2484  -35.8284 C   0  0  0  0  0
    1.3863  -67.2977  -36.7293 C   0  0  0  0  0
    1.2272  -69.6697  -33.9767 O   0  0  0  0  0
    3.1398  -67.2071  -39.8081 C   0  0  0  0  0
    1.9483  -66.9052  -39.9309 O   0  0  0  0  0
    3.6451  -68.0655  -40.7361 N   0  0  0  0  0
    4.8440  -68.9188  -40.7732 C   0  0  0  0  0
    6.1888  -68.2446  -40.4842 C   0  0  0  0  0
    7.3741  -69.0954  -40.9626 C   0  0  0  0  0
    8.7087  -68.4106  -40.6579 C   0  0  0  0  0
    9.8842  -69.2381  -41.1755 C   0  0  0  0  0
   11.1419  -68.5605  -40.8879 N   0  0  0  0  0
    4.5700  -70.1166  -39.8511 C   0  0  0  0  0
    4.7686  -70.0381  -38.6349 O   0  0  0  0  0
    3.9872  -71.2576  -40.3194 N   0  0  0  0  0
    3.7139  -71.7507  -41.6813 C   0  0  0  0  0
    2.8011  -70.8445  -42.5148 C   0  0  0  0  0
    2.2494  -71.5527  -43.7541 C   0  0  0  0  0
    1.7144  -70.5228  -44.7183 C   0  0  0  0  0
    0.5744  -70.0743  -44.6577 O   0  0  0  0  0
    2.6260  -70.0566  -45.6195 N   0  0  0  0  0
    5.0650  -72.0168  -42.3705 C   0  0  0  0  0
    5.6371  -71.1308  -43.0151 O   0  0  0  0  0
    5.7605  -73.1723  -42.1997 N   0  0  0  0  0
    5.3188  -74.5438  -41.8848 C   0  0  0  0  0
    4.7340  -74.6746  -40.4706 C   0  0  0  0  0
    4.8263  -76.1067  -39.9335 C   0  0  0  0  0
    4.2864  -76.2089  -38.5059 C   0  0  0  0  0
    4.4245  -77.5727  -38.0303 N   0  0  0  0  0
    4.1308  -77.9583  -36.7699 C   0  0  0  0  0
    3.9403  -77.2355  -35.7320 N   0  0  0  0  0
    4.0617  -79.2986  -36.6661 N   0  0  0  0  0
    4.3479  -74.9600  -43.0049 C   0  0  0  0  0
    3.1930  -74.5160  -43.0213 O   0  0  0  0  0
    4.7097  -75.6810  -44.0959 N   0  0  0  0  0
    5.7697  -76.6642  -44.3643 C   0  0  0  0  0
    7.1135  -76.1391  -44.9238 C   0  0  0  0  0
    7.9740  -75.2909  -44.0016 C   0  0  0  0  0
    7.9630  -77.3030  -45.4578 C   0  0  0  0  0
    5.8310  -77.7161  -43.2370 C   0  0  0  0  0
    6.5042  -77.5337  -42.2199 O   0  0  0  0  0
    5.0493  -78.8348  -43.2614 N   0  0  0  0  0
    4.1953  -79.4135  -44.3155 C   0  0  0  0  0
    2.9753  -78.5322  -44.6241 C   0  0  0  0  0
    1.8301  -79.3125  -45.2801 C   0  0  0  0  0
    0.6509  -78.3837  -45.5881 C   0  0  0  0  0
   -0.4937  -79.1328  -46.2669 C   0  0  0  0  0
   -1.5853  -78.2137  -46.5643 N   0  0  0  0  0
    5.0748  -79.7302  -45.5416 C   0  0  0  0  0
    4.9078  -79.1619  -46.6242 O   0  0  0  0  0
    6.1581  -80.5600  -45.4510 N   0  0  0  0  0
    6.3107  -81.8408  -44.7321 C   0  0  0  0  0
    6.0420  -81.8518  -43.2351 C   0  0  0  0  0
    6.6648  -83.0938  -42.6439 C   0  0  0  0  0
    6.1941  -84.2145  -42.8004 O   0  0  0  0  0
    7.8213  -82.9021  -41.9528 N   0  0  0  0  0
    5.4237  -82.8477  -45.4842 C   0  0  0  0  0
    4.1939  -82.7907  -45.3966 O   0  0  0  0  0
    5.9687  -83.7386  -46.3643 N   0  0  0  0  0
    7.3694  -83.9957  -46.7428 C   0  0  0  0  0
    8.0686  -82.7968  -47.3988 C   0  0  0  0  0
    9.3512  -83.1951  -48.1413 C   0  0  0  0  0
   10.0791  -81.9585  -48.6769 C   0  0  0  0  0
   11.3980  -82.3350  -49.3489 C   0  0  0  0  0
   12.0756  -81.1359  -49.8253 N   0  0  0  0  0
    8.1207  -84.5873  -45.5328 C   0  0  0  0  0
    9.1235  -84.0895  -45.0323 O   0  0  0  0  0
    7.5950  -85.7521  -45.0456 N   0  0  0  0  0
  -12.8561  -15.7495  -32.9310 N   0  0  0  0  0
  -13.7850  -15.5763  -33.9160 C   0  0  0  0  0
  -14.1026  -16.5494  -34.6044 O   0  0  0  0  0
  -14.5033  -14.2290  -34.0702 C   0  0  0  0  0
  -15.2325  -14.2008  -35.3285 N   0  0  0  0  0
  -16.3833  -14.8105  -35.7055 C   0  0  0  0  0
  -16.6275  -14.7932  -36.9213 O   0  0  0  0  0
  -17.4746  -15.3045  -34.7321 C   0  0  0  0  0
  -17.0537  -16.1272  -33.5242 C   0  0  0  0  0
  -18.2395  -16.7572  -32.8460 C   0  0  0  0  0
  -18.5012  -16.6768  -31.6587 O   0  0  0  0  0
  -19.0224  -17.4504  -33.6943 O   0  0  0  0  0
  -18.2739  -14.1307  -34.3634 N   0  0  0  0  0
  -19.4072  -13.6320  -34.9396 C   0  0  0  0  0
  -19.6400  -12.4353  -34.7417 O   0  0  0  0  0
  -20.3559  -14.4747  -35.8231 C   0  0  0  0  0
  -19.8053  -14.6911  -37.2338 C   0  0  0  0  0
  -20.8591  -15.1330  -38.0976 O   0  0  0  0  0
  -20.7232  -15.7498  -35.1871 N   0  0  0  0  0
  -21.8127  -16.0624  -34.4298 C   0  0  0  0  0
  -21.6734  -16.9968  -33.6295 O   0  0  0  0  0
  -23.1719  -15.3554  -34.6013 C   0  0  0  0  0
  -23.1835  -13.9756  -33.9262 C   0  0  0  0  0
  -24.5543  -13.4159  -33.7503 C   0  0  0  0  0
  -25.4852  -13.6818  -32.7681 C   0  0  0  0  0
  -26.5687  -12.9091  -33.0821 N   0  0  0  0  0
  -26.2606  -12.2052  -34.2099 C   0  0  0  0  0
  -25.0460  -12.4747  -34.6262 N   0  0  0  0  0
  -23.5848  -15.3800  -36.0213 N   0  0  0  0  0
  -10.9919  -12.5558  -28.2259 H   0  0  0  0  0
  -11.0728  -14.3244  -28.1784 H   0  0  0  0  0
  -12.5621  -13.3538  -28.1513 H   0  0  0  0  0
  -10.5522  -13.3496  -30.4447 H   0  0  0  0  0
  -12.1266  -12.5631  -30.4563 H   0  0  0  0  0
  -11.6714  -15.5768  -30.2827 H   0  0  0  0  0
  -14.2815  -14.0289  -30.6202 H   0  0  0  0  0
  -13.7764  -14.9341  -29.1823 H   0  0  0  0  0
  -14.1235  -15.7953  -30.6680 H   0  0  0  0  0
  -12.4997  -13.7531  -32.5659 H   0  0  0  0  0
   -8.9075  -15.4138  -33.2112 H   0  0  0  0  0
   -8.6891  -17.3996  -32.3611 H   0  0  0  0  0
  -11.4973  -17.4926  -31.1898 H   0  0  0  0  0
  -10.0427  -17.0329  -30.3169 H   0  0  0  0  0
   -8.2784  -18.7434  -29.8143 H   0  0  0  0  0
   -7.8669  -21.1272  -29.3283 H   0  0  0  0  0
   -9.4780  -22.8576  -30.0906 H   0  0  0  0  0
  -11.5199  -22.1870  -31.3264 H   0  0  0  0  0
  -11.9640  -19.8105  -31.7998 H   0  0  0  0  0
  -10.0981  -18.9909  -35.2939 H   0  0  0  0  0
   -7.9438  -19.3111  -35.5819 H   0  0  0  0  0
   -7.2052  -16.8076  -34.0090 H   0  0  0  0  0
   -6.2600  -17.9482  -36.6850 H   0  0  0  0  0
   -5.3819  -18.1053  -35.1462 H   0  0  0  0  0
   -5.6430  -16.5105  -35.8878 H   0  0  0  0  0
   -8.4834  -16.9149  -36.5431 H   0  0  0  0  0
   -7.2772  -21.0346  -32.3708 H   0  0  0  0  0
   -7.7378  -22.7793  -33.6433 H   0  0  0  0  0
   -9.3557  -21.1924  -35.6940 H   0  0  0  0  0
   -9.9989  -21.5089  -34.0891 H   0  0  0  0  0
  -10.1334  -24.8995  -34.6242 H   0  0  0  0  0
   -4.9233  -22.1906  -35.9108 H   0  0  0  0  0
   -3.8230  -23.0116  -34.2011 H   0  0  0  0  0
   -6.0978  -22.9155  -32.1820 H   0  0  0  0  0
   -5.0747  -21.5025  -32.5224 H   0  0  0  0  0
   -3.2691  -22.8375  -31.9749 H   0  0  0  0  0
   -4.9014  -26.4677  -34.2522 H   0  0  0  0  0
   -2.7293  -26.6750  -34.1844 H   0  0  0  0  0
   -2.5062  -23.9633  -35.5686 H   0  0  0  0  0
   -3.0653  -25.4175  -36.3530 H   0  0  0  0  0
   -1.5351  -27.4559  -36.5082 H   0  0  0  0  0
    0.8064  -28.1618  -36.8501 H   0  0  0  0  0
    2.1824  -24.3367  -35.4437 H   0  0  0  0  0
   -0.1394  -23.6159  -35.0967 H   0  0  0  0  0
    3.5249  -26.0377  -36.1137 H   0  0  0  0  0
   -1.7699  -25.0404  -31.0705 H   0  0  0  0  0
   -2.2443  -27.0477  -30.3152 H   0  0  0  0  0
   -4.5937  -27.5280  -32.1256 H   0  0  0  0  0
   -4.5914  -26.0273  -31.1904 H   0  0  0  0  0
   -4.3271  -27.2221  -29.3153 H   0  0  0  0  0
   -0.4686  -29.2269  -32.6452 H   0  0  0  0  0
    1.1805  -28.7710  -31.2452 H   0  0  0  0  0
   -0.0979  -26.2371  -30.1710 H   0  0  0  0  0
    0.6976  -26.2932  -31.7465 H   0  0  0  0  0
    2.7973  -27.0378  -30.6961 H   0  0  0  0  0
    2.0248  -27.1436  -29.1184 H   0  0  0  0  0
    1.5550  -24.7106  -29.1313 H   0  0  0  0  0
    2.2499  -24.5373  -30.7339 H   0  0  0  0  0
    3.6602  -25.3825  -28.2616 H   0  0  0  0  0
    4.1371  -24.9138  -31.5936 H   0  0  0  0  0
    5.7863  -24.4284  -28.2390 H   0  0  0  0  0
    6.6959  -25.0409  -29.4902 H   0  0  0  0  0
   -0.5588  -30.4367  -28.4632 H   0  0  0  0  0
    0.3053  -32.1931  -29.4433 H   0  0  0  0  0
    0.9686  -30.7117  -32.0253 H   0  0  0  0  0
   -0.5600  -31.5078  -31.7151 H   0  0  0  0  0
   -0.4537  -34.0779  -31.1025 H   0  0  0  0  0
    0.5536  -36.1869  -31.8898 H   0  0  0  0  0
    3.7916  -33.9871  -33.6809 H   0  0  0  0  0
    2.8137  -31.8831  -32.8896 H   0  0  0  0  0
    3.5585  -36.2316  -33.7467 H   0  0  0  0  0
    3.6983  -31.4477  -28.4028 H   0  0  0  0  0
    3.0908  -32.9125  -26.9106 H   0  0  0  0  0
    0.1879  -32.0511  -27.1551 H   0  0  0  0  0
    1.4286  -31.0388  -26.4234 H   0  0  0  0  0
    1.9677  -32.8357  -24.7970 H   0  0  0  0  0
    0.7893  -33.9068  -25.5415 H   0  0  0  0  0
   -1.0488  -32.3153  -24.9898 H   0  0  0  0  0
    0.0941  -31.2090  -24.2431 H   0  0  0  0  0
   -0.5490  -33.9747  -23.3878 H   0  0  0  0  0
    1.5040  -31.3515  -22.6591 H   0  0  0  0  0
   -0.4605  -34.1595  -21.0844 H   0  0  0  0  0
    1.0838  -33.8642  -20.5389 H   0  0  0  0  0
    2.1692  -35.7749  -28.9989 H   0  0  0  0  0
    4.3341  -36.1405  -28.7985 H   0  0  0  0  0
    4.7845  -33.1734  -29.3002 H   0  0  0  0  0
    4.0678  -34.2330  -30.5028 H   0  0  0  0  0
    6.0749  -35.7336  -30.3606 H   0  0  0  0  0
    6.8015  -34.6329  -29.1874 H   0  0  0  0  0
    6.6912  -32.7776  -30.8812 H   0  0  0  0  0
    5.9825  -33.8970  -32.0473 H   0  0  0  0  0
    8.0448  -35.3430  -31.8905 H   0  0  0  0  0
    8.7587  -34.1765  -30.7668 H   0  0  0  0  0
    8.5627  -32.5106  -32.4725 H   0  0  0  0  0
    9.4912  -33.7591  -32.9530 H   0  0  0  0  0
    5.0224  -35.3478  -25.2732 H   0  0  0  0  0
    4.0168  -37.2618  -24.9384 H   0  0  0  0  0
    2.9605  -37.5427  -27.7734 H   0  0  0  0  0
    2.0782  -36.7311  -26.4775 H   0  0  0  0  0
    2.1459  -38.8596  -25.1390 H   0  0  0  0  0
    3.0025  -39.6575  -26.4615 H   0  0  0  0  0
    1.8846  -39.9915  -28.5858 H   0  0  0  0  0
    0.1660  -39.8444  -28.6038 H   0  0  0  0  0
    6.6329  -39.4000  -26.2385 H   0  0  0  0  0
    6.6997  -39.8623  -24.0869 H   0  0  0  0  0
    6.0912  -36.8872  -23.7888 H   0  0  0  0  0
    7.6141  -37.5533  -24.3700 H   0  0  0  0  0
    7.8663  -38.8291  -22.2023 H   0  0  0  0  0
    6.3687  -38.0779  -21.6075 H   0  0  0  0  0
    8.9835  -36.1476  -19.5207 H   0  0  0  0  0
    8.9535  -37.8727  -19.9382 H   0  0  0  0  0
    7.4397  -37.0223  -19.5123 H   0  0  0  0  0
    3.2719  -40.5051  -22.9736 H   0  0  0  0  0
    3.6915  -42.4600  -23.8140 H   0  0  0  0  0
    6.1350  -41.5886  -25.4118 H   0  0  0  0  0
    4.4700  -41.5385  -26.0330 H   0  0  0  0  0
    5.2302  -43.0656  -25.5730 H   0  0  0  0  0
    6.4640  -43.8385  -21.8911 H   0  0  0  0  0
    5.0431  -45.5722  -22.0249 H   0  0  0  0  0
    4.6276  -44.1476  -20.1307 H   0  0  0  0  0
    2.2624  -42.9317  -21.6394 H   0  0  0  0  0
    3.6990  -42.0917  -21.0281 H   0  0  0  0  0
    2.5593  -42.8107  -19.9063 H   0  0  0  0  0
    2.0754  -45.5601  -21.0427 H   0  0  0  0  0
    2.5889  -45.2219  -19.3876 H   0  0  0  0  0
    3.5119  -46.3574  -20.3761 H   0  0  0  0  0
    3.3288  -45.2823  -25.2737 H   0  0  0  0  0
    5.6012  -45.8210  -25.9370 H   0  0  0  0  0
    5.9088  -47.1174  -23.2000 H   0  0  0  0  0
    6.7423  -45.6440  -23.7238 H   0  0  0  0  0
    7.7654  -46.8815  -25.6209 H   0  0  0  0  0
    6.9772  -48.3668  -25.0840 H   0  0  0  0  0
    8.1676  -48.2181  -22.8942 H   0  0  0  0  0
    8.9388  -46.7152  -23.4071 H   0  0  0  0  0
   10.0386  -47.9233  -25.3121 H   0  0  0  0  0
    9.2781  -49.4348  -24.7938 H   0  0  0  0  0
   10.4231  -49.2472  -22.7170 H   0  0  0  0  0
   11.4785  -49.2436  -23.9584 H   0  0  0  0  0
    3.3121  -48.5520  -26.7299 H   0  0  0  0  0
    3.5786  -47.5579  -28.7192 H   0  0  0  0  0
    4.2886  -44.9521  -27.3092 H   0  0  0  0  0
    2.6535  -45.5702  -27.4972 H   0  0  0  0  0
    3.0088  -45.5294  -30.0105 H   0  0  0  0  0
    4.6053  -44.8238  -29.7327 H   0  0  0  0  0
    3.4436  -42.9655  -28.3843 H   0  0  0  0  0
    1.9016  -43.6464  -28.9013 H   0  0  0  0  0
    2.6189  -43.2830  -31.3219 H   0  0  0  0  0
    4.1008  -42.5229  -30.7213 H   0  0  0  0  0
    2.4940  -40.8984  -31.1775 H   0  0  0  0  0
    1.3385  -41.6479  -30.3219 H   0  0  0  0  0
    7.1863  -48.2722  -28.8537 H   0  0  0  0  0
    6.4376  -50.3131  -29.2607 H   0  0  0  0  0
    3.5215  -49.6355  -28.6739 H   0  0  0  0  0
    4.6367  -50.3240  -27.5095 H   0  0  0  0  0
    5.4998  -52.6657  -27.8412 H   0  0  0  0  0
    4.9399  -54.9014  -28.7218 H   0  0  0  0  0
    2.0505  -53.1439  -31.3835 H   0  0  0  0  0
    2.5924  -50.9133  -30.5146 H   0  0  0  0  0
    2.4140  -55.3721  -31.1346 H   0  0  0  0  0
    5.6740  -49.4046  -32.6889 H   0  0  0  0  0
    7.4827  -50.6278  -32.9273 H   0  0  0  0  0
    8.3703  -49.7564  -30.1459 H   0  0  0  0  0
    8.3200  -48.6475  -31.5010 H   0  0  0  0  0
    9.8940  -51.2770  -31.5645 H   0  0  0  0  0
   10.0943  -48.7335  -33.2714 H   0  0  0  0  0
    9.4590  -50.2918  -33.8187 H   0  0  0  0  0
   11.1607  -50.1422  -33.3876 H   0  0  0  0  0
   10.8815  -48.4811  -30.7963 H   0  0  0  0  0
   11.8967  -49.9167  -31.0253 H   0  0  0  0  0
   10.7220  -49.8692  -29.7051 H   0  0  0  0  0
    6.4760  -53.7717  -31.3551 H   0  0  0  0  0
    5.6028  -54.0570  -33.3356 H   0  0  0  0  0
    5.8891  -51.1812  -34.2935 H   0  0  0  0  0
    4.5417  -51.6940  -33.2497 H   0  0  0  0  0
    4.7723  -52.4117  -34.8341 H   0  0  0  0  0
    8.5336  -54.1602  -35.5392 H   0  0  0  0  0
    7.1729  -55.4640  -36.6963 H   0  0  0  0  0
    4.6379  -54.5674  -35.2646 H   0  0  0  0  0
    5.5891  -55.9952  -34.8043 H   0  0  0  0  0
    4.8187  -55.8818  -36.3909 H   0  0  0  0  0
    5.7780  -52.9817  -38.9970 H   0  0  0  0  0
    5.7358  -54.7150  -40.3138 H   0  0  0  0  0
    7.9736  -53.9538  -40.2747 H   0  0  0  0  0
    8.7275  -56.1929  -38.3391 H   0  0  0  0  0
    8.8153  -54.4411  -38.0378 H   0  0  0  0  0
    9.8379  -55.1797  -39.2550 H   0  0  0  0  0
    7.8480  -56.9757  -40.7288 H   0  0  0  0  0
    8.9865  -55.8380  -41.4608 H   0  0  0  0  0
    7.2671  -55.7353  -41.8536 H   0  0  0  0  0
    4.2567  -57.6335  -38.8644 H   0  0  0  0  0
    2.5172  -56.7418  -39.8331 H   0  0  0  0  0
    3.6797  -53.9348  -39.6856 H   0  0  0  0  0
    2.9788  -54.7431  -38.2902 H   0  0  0  0  0
    1.5096  -54.2216  -40.9361 H   0  0  0  0  0
    0.4712  -55.1419  -38.2027 H   0  0  0  0  0
    0.4539  -56.0795  -39.7076 H   0  0  0  0  0
   -0.5494  -54.6415  -39.5614 H   0  0  0  0  0
    1.3970  -52.6608  -38.3045 H   0  0  0  0  0
    0.3913  -52.3695  -39.7358 H   0  0  0  0  0
    2.1368  -52.1037  -39.8165 H   0  0  0  0  0
    3.7044  -57.0301  -43.2234 H   0  0  0  0  0
    2.1479  -58.4706  -41.4918 H   0  0  0  0  0
    3.7896  -58.6761  -40.8617 H   0  0  0  0  0
    4.1083  -61.2313  -43.4634 H   0  0  0  0  0
    5.2097  -62.1194  -41.8108 H   0  0  0  0  0
    5.7376  -59.3800  -40.5976 H   0  0  0  0  0
    6.3793  -59.8459  -42.1669 H   0  0  0  0  0
    7.4749  -61.8313  -41.1348 H   0  0  0  0  0
    6.8285  -61.3756  -39.5535 H   0  0  0  0  0
    8.0740  -59.2226  -39.6517 H   0  0  0  0  0
    8.6698  -59.6229  -41.2653 H   0  0  0  0  0
    9.8269  -61.6546  -40.3193 H   0  0  0  0  0
    9.2538  -61.2119  -38.7048 H   0  0  0  0  0
   10.9795  -59.5726  -40.4307 H   0  0  0  0  0
   11.4704  -60.4492  -39.1468 H   0  0  0  0  0
    2.7924  -62.5658  -39.1109 H   0  0  0  0  0
    2.6643  -64.5077  -40.1100 H   0  0  0  0  0
    4.1246  -63.7541  -42.6674 H   0  0  0  0  0
    2.5033  -63.1177  -42.3648 H   0  0  0  0  0
    1.6549  -65.4302  -42.0518 H   0  0  0  0  0
    3.2737  -66.0635  -42.3750 H   0  0  0  0  0
    3.2504  -65.2134  -44.6441 H   0  0  0  0  0
    1.7062  -64.3824  -44.3868 H   0  0  0  0  0
    0.6682  -66.4982  -43.9290 H   0  0  0  0  0
    3.1010  -66.4343  -46.3188 H   0  0  0  0  0
    0.1257  -68.3649  -45.1757 H   0  0  0  0  0
    0.1867  -67.9757  -46.7628 H   0  0  0  0  0
    5.9564  -65.7847  -39.2272 H   0  0  0  0  0
    4.6494  -67.3099  -38.3085 H   0  0  0  0  0
    2.4223  -65.2268  -38.0242 H   0  0  0  0  0
    3.8999  -65.1345  -37.1017 H   0  0  0  0  0
    4.5569  -66.9888  -35.5161 H   0  0  0  0  0
    3.7035  -68.6605  -33.9339 H   0  0  0  0  0
   -0.1152  -68.6136  -35.9126 H   0  0  0  0  0
    0.7270  -66.9375  -37.5170 H   0  0  0  0  0
    1.9227  -69.9290  -33.3506 H   0  0  0  0  0
    2.8912  -68.3781  -41.3372 H   0  0  0  0  0
    4.8990  -69.2484  -41.8059 H   0  0  0  0  0
    6.3197  -68.0562  -39.4151 H   0  0  0  0  0
    6.2309  -67.2843  -41.0100 H   0  0  0  0  0
    7.2930  -69.2583  -42.0436 H   0  0  0  0  0
    7.3491  -70.0798  -40.4806 H   0  0  0  0  0
    8.8039  -68.2625  -39.5749 H   0  0  0  0  0
    8.7233  -67.4163  -41.1223 H   0  0  0  0  0
    9.7957  -69.3815  -42.2578 H   0  0  0  0  0
    9.8880  -70.2284  -40.7069 H   0  0  0  0  0
   11.9191  -69.1340  -41.2139 H   0  0  0  0  0
   11.2615  -68.4654  -39.8802 H   0  0  0  0  0
    3.8331  -71.9203  -39.5688 H   0  0  0  0  0
    3.1771  -72.6840  -41.5302 H   0  0  0  0  0
    3.3242  -69.9456  -42.8475 H   0  0  0  0  0
    1.9590  -70.5005  -41.9007 H   0  0  0  0  0
    1.4445  -72.2465  -43.4892 H   0  0  0  0  0
    3.0266  -72.1335  -44.2633 H   0  0  0  0  0
    3.6137  -70.2632  -45.5515 H   0  0  0  0  0
    2.3701  -69.2627  -46.2042 H   0  0  0  0  0
    6.6542  -73.0990  -42.6658 H   0  0  0  0  0
    6.2263  -75.1417  -41.9395 H   0  0  0  0  0
    3.6836  -74.3720  -40.4384 H   0  0  0  0  0
    5.2817  -74.0119  -39.7887 H   0  0  0  0  0
    5.8725  -76.4355  -39.9405 H   0  0  0  0  0
    4.2687  -76.7864  -40.5894 H   0  0  0  0  0
    3.2317  -75.9131  -38.4786 H   0  0  0  0  0
    4.8493  -75.5277  -37.8576 H   0  0  0  0  0
    4.1109  -78.2640  -38.7032 H   0  0  0  0  0
    4.0422  -76.2499  -35.9722 H   0  0  0  0  0
    4.8818  -79.7556  -37.0437 H   0  0  0  0  0
    3.9535  -79.5435  -35.6852 H   0  0  0  0  0
    3.9328  -75.7194  -44.7476 H   0  0  0  0  0
    5.3566  -77.1838  -45.2295 H   0  0  0  0  0
    6.8724  -75.5058  -45.7897 H   0  0  0  0  0
    8.1502  -75.7640  -43.0333 H   0  0  0  0  0
    7.5145  -74.3170  -43.8587 H   0  0  0  0  0
    8.9541  -75.0953  -44.4522 H   0  0  0  0  0
    8.2683  -77.9803  -44.6536 H   0  0  0  0  0
    8.8709  -76.9306  -45.9452 H   0  0  0  0  0
    7.4116  -77.8807  -46.2056 H   0  0  0  0  0
    5.1101  -79.3564  -42.3967 H   0  0  0  0  0
    3.8228  -80.3602  -43.9165 H   0  0  0  0  0
    3.2436  -77.7079  -45.2902 H   0  0  0  0  0
    2.6052  -78.0825  -43.6936 H   0  0  0  0  0
    1.5001  -80.1169  -44.6121 H   0  0  0  0  0
    2.1799  -79.7810  -46.2073 H   0  0  0  0  0
    0.9914  -77.5660  -46.2367 H   0  0  0  0  0
    0.2949  -77.9262  -44.6560 H   0  0  0  0  0
   -0.8595  -79.9367  -45.6190 H   0  0  0  0  0
   -0.1453  -79.5867  -47.2007 H   0  0  0  0  0
   -1.9476  -77.8120  -45.7003 H   0  0  0  0  0
   -2.3581  -78.7276  -46.9857 H   0  0  0  0  0
    6.6093  -80.5647  -46.3599 H   0  0  0  0  0
    7.3607  -82.0966  -44.8618 H   0  0  0  0  0
    4.9795  -81.8709  -42.9786 H   0  0  0  0  0
    6.4948  -80.9771  -42.7589 H   0  0  0  0  0
    8.3583  -82.0457  -41.9999 H   0  0  0  0  0
    8.3118  -83.7296  -41.6342 H   0  0  0  0  0
    5.2596  -84.2888  -46.8370 H   0  0  0  0  0
    7.3110  -84.7987  -47.4899 H   0  0  0  0  0
    8.3360  -82.0396  -46.6577 H   0  0  0  0  0
    7.3823  -82.3168  -48.1079 H   0  0  0  0  0
    9.1048  -83.8696  -48.9696 H   0  0  0  0  0
   10.0225  -83.7412  -47.4693 H   0  0  0  0  0
   10.2765  -81.2650  -47.8490 H   0  0  0  0  0
    9.4302  -81.4331  -49.3888 H   0  0  0  0  0
   11.2176  -83.0129  -50.1900 H   0  0  0  0  0
   12.0491  -82.8522  -48.6358 H   0  0  0  0  0
   11.5070  -80.6749  -50.5346 H   0  0  0  0  0
   12.9457  -81.3996  -50.2869 H   0  0  0  0  0
    6.5996  -85.9136  -45.1463 H   0  0  0  0  0
    7.9856  -86.0686  -44.1658 H   0  0  0  0  0
  -12.4401  -16.6770  -33.0286 H   0  0  0  0  0
  -13.7750  -13.4196  -34.1393 H   0  0  0  0  0
  -15.1760  -14.0467  -33.2324 H   0  0  0  0  0
  -14.6687  -13.9938  -36.1460 H   0  0  0  0  0
  -18.0822  -15.9540  -35.3656 H   0  0  0  0  0
  -16.5581  -15.5152  -32.7670 H   0  0  0  0  0
  -16.3791  -16.9399  -33.8059 H   0  0  0  0  0
  -19.8342  -17.6948  -33.1769 H   0  0  0  0  0
  -17.7749  -13.3906  -33.8803 H   0  0  0  0  0
  -21.2655  -13.8831  -35.9243 H   0  0  0  0  0
  -19.0242  -15.4524  -37.2709 H   0  0  0  0  0
  -19.4024  -13.7608  -37.6459 H   0  0  0  0  0
  -21.1115  -16.0226  -37.7925 H   0  0  0  0  0
  -19.9561  -16.3694  -34.9504 H   0  0  0  0  0
  -23.8945  -15.9970  -34.0786 H   0  0  0  0  0
  -22.5884  -13.2480  -34.4852 H   0  0  0  0  0
  -22.7062  -14.0504  -32.9402 H   0  0  0  0  0
  -25.4727  -14.3371  -31.9091 H   0  0  0  0  0
  -27.4424  -12.8632  -32.5771 H   0  0  0  0  0
  -26.9525  -11.5178  -34.6773 H   0  0  0  0  0
  -23.3774  -16.2855  -36.4346 H   0  0  0  0  0
  -23.0993  -14.6673  -36.5630 H   0  0  0  0  0
  1  2  1  0  0  0
  1321  1  0  0  0
  1322  1  0  0  0
  1323  1  0  0  0
  2  3  1  0  0  0
  2324  1  0  0  0
  2325  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3326  1  0  0  0
  4327  1  0  0  0
  4328  1  0  0  0
  4329  1  0  0  0
  5292  1  0  0  0
  5  6  1  0  0  0
  5330  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8331  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9332  1  0  0  0
 10 11  1  0  0  0
 10333  1  0  0  0
 10334  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12335  1  0  0  0
 13 14  2  0  0  0
 13336  1  0  0  0
 14 15  1  0  0  0
 14337  1  0  0  0
 15 16  2  0  0  0
 15338  1  0  0  0
 16339  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19340  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20341  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21342  1  0  0  0
 22343  1  0  0  0
 22344  1  0  0  0
 22345  1  0  0  0
 23346  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26347  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27348  1  0  0  0
 28 29  1  0  0  0
 28349  1  0  0  0
 28350  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31351  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 35  1  0  0  0
 34352  1  0  0  0
 35 38  1  0  0  0
 35 36  1  0  0  0
 35353  1  0  0  0
 36 37  1  0  0  0
 36354  1  0  0  0
 36355  1  0  0  0
 37356  1  0  0  0
 38 40  1  0  0  0
 38 39  2  0  0  0
 40 41  1  0  0  0
 40357  1  0  0  0
 41 50  1  0  0  0
 41 42  1  0  0  0
 41358  1  0  0  0
 42 43  1  0  0  0
 42359  1  0  0  0
 42360  1  0  0  0
 43 44  2  0  0  0
 43 48  1  0  0  0
 44 45  1  0  0  0
 44361  1  0  0  0
 45 46  2  0  0  0
 45362  1  0  0  0
 46 47  1  0  0  0
 46 49  1  0  0  0
 47 48  2  0  0  0
 47363  1  0  0  0
 48364  1  0  0  0
 49365  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52366  1  0  0  0
 53 56  1  0  0  0
 53 54  1  0  0  0
 53367  1  0  0  0
 54 55  1  0  0  0
 54368  1  0  0  0
 54369  1  0  0  0
 55370  1  0  0  0
 56 58  1  0  0  0
 56 57  2  0  0  0
 58 59  1  0  0  0
 58371  1  0  0  0
 59 67  1  0  0  0
 59 60  1  0  0  0
 59372  1  0  0  0
 60 61  1  0  0  0
 60373  1  0  0  0
 60374  1  0  0  0
 61 62  1  0  0  0
 61375  1  0  0  0
 61376  1  0  0  0
 62 63  1  0  0  0
 62377  1  0  0  0
 62378  1  0  0  0
 63 64  1  0  0  0
 63379  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 65380  1  0  0  0
 66381  1  0  0  0
 66382  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 70  1  0  0  0
 69383  1  0  0  0
 70 79  1  0  0  0
 70 71  1  0  0  0
 70384  1  0  0  0
 71 72  1  0  0  0
 71385  1  0  0  0
 71386  1  0  0  0
 72 73  2  0  0  0
 72 77  1  0  0  0
 73 74  1  0  0  0
 73387  1  0  0  0
 74 75  2  0  0  0
 74388  1  0  0  0
 75 76  1  0  0  0
 75 78  1  0  0  0
 76 77  2  0  0  0
 76389  1  0  0  0
 77390  1  0  0  0
 78391  1  0  0  0
 79 81  1  0  0  0
 79 80  2  0  0  0
 81 82  1  0  0  0
 81392  1  0  0  0
 82 90  1  0  0  0
 82 83  1  0  0  0
 82393  1  0  0  0
 83 84  1  0  0  0
 83394  1  0  0  0
 83395  1  0  0  0
 84 85  1  0  0  0
 84396  1  0  0  0
 84397  1  0  0  0
 85 86  1  0  0  0
 85398  1  0  0  0
 85399  1  0  0  0
 86 87  1  0  0  0
 86400  1  0  0  0
 87 89  1  0  0  0
 87 88  2  0  0  0
 88401  1  0  0  0
 89402  1  0  0  0
 89403  1  0  0  0
 90 92  1  0  0  0
 90 91  2  0  0  0
 92 93  1  0  0  0
 92404  1  0  0  0
 93 99  1  0  0  0
 93 94  1  0  0  0
 93405  1  0  0  0
 94 95  1  0  0  0
 94406  1  0  0  0
 94407  1  0  0  0
 95 96  1  0  0  0
 95408  1  0  0  0
 95409  1  0  0  0
 96 97  1  0  0  0
 96410  1  0  0  0
 96411  1  0  0  0
 97 98  1  0  0  0
 97412  1  0  0  0
 97413  1  0  0  0
 98414  1  0  0  0
 98415  1  0  0  0
 99101  1  0  0  0
 99100  2  0  0  0
101102  1  0  0  0
101416  1  0  0  0
102108  1  0  0  0
102103  1  0  0  0
102417  1  0  0  0
103104  1  0  0  0
103418  1  0  0  0
103419  1  0  0  0
104105  1  0  0  0
104420  1  0  0  0
104421  1  0  0  0
105107  1  0  0  0
105106  2  0  0  0
107422  1  0  0  0
107423  1  0  0  0
108110  1  0  0  0
108109  2  0  0  0
110111  1  0  0  0
110424  1  0  0  0
111116  1  0  0  0
111112  1  0  0  0
111425  1  0  0  0
112113  1  0  0  0
112426  1  0  0  0
112427  1  0  0  0
113114  1  0  0  0
113428  1  0  0  0
113429  1  0  0  0
114115  1  0  0  0
115430  1  0  0  0
115431  1  0  0  0
115432  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118119  1  0  0  0
118433  1  0  0  0
119121  1  0  0  0
119120  1  0  0  0
119434  1  0  0  0
120435  1  0  0  0
120436  1  0  0  0
120437  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123124  1  0  0  0
123438  1  0  0  0
124128  1  0  0  0
124125  1  0  0  0
124439  1  0  0  0
125127  1  0  0  0
125126  1  0  0  0
125440  1  0  0  0
126441  1  0  0  0
126442  1  0  0  0
126443  1  0  0  0
127444  1  0  0  0
127445  1  0  0  0
127446  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130131  1  0  0  0
130447  1  0  0  0
131137  1  0  0  0
131132  1  0  0  0
131448  1  0  0  0
132133  1  0  0  0
132449  1  0  0  0
132450  1  0  0  0
133134  1  0  0  0
133451  1  0  0  0
133452  1  0  0  0
134135  1  0  0  0
134453  1  0  0  0
134454  1  0  0  0
135136  1  0  0  0
135455  1  0  0  0
135456  1  0  0  0
136457  1  0  0  0
136458  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139459  1  0  0  0
140146  1  0  0  0
140141  1  0  0  0
140460  1  0  0  0
141142  1  0  0  0
141461  1  0  0  0
141462  1  0  0  0
142143  1  0  0  0
142463  1  0  0  0
142464  1  0  0  0
143144  1  0  0  0
143465  1  0  0  0
143466  1  0  0  0
144145  1  0  0  0
144467  1  0  0  0
144468  1  0  0  0
145469  1  0  0  0
145470  1  0  0  0
146148  1  0  0  0
146147  2  0  0  0
148149  1  0  0  0
148471  1  0  0  0
149158  1  0  0  0
149150  1  0  0  0
149472  1  0  0  0
150151  1  0  0  0
150473  1  0  0  0
150474  1  0  0  0
151152  2  0  0  0
151156  1  0  0  0
152153  1  0  0  0
152475  1  0  0  0
153154  2  0  0  0
153476  1  0  0  0
154155  1  0  0  0
154157  1  0  0  0
155156  2  0  0  0
155477  1  0  0  0
156478  1  0  0  0
157479  1  0  0  0
158160  1  0  0  0
158159  2  0  0  0
160161  1  0  0  0
160480  1  0  0  0
161166  1  0  0  0
161162  1  0  0  0
161481  1  0  0  0
162163  1  0  0  0
162482  1  0  0  0
162483  1  0  0  0
163165  1  0  0  0
163164  1  0  0  0
163484  1  0  0  0
164485  1  0  0  0
164486  1  0  0  0
164487  1  0  0  0
165488  1  0  0  0
165489  1  0  0  0
165490  1  0  0  0
166168  1  0  0  0
166167  2  0  0  0
168169  1  0  0  0
168491  1  0  0  0
169171  1  0  0  0
169170  1  0  0  0
169492  1  0  0  0
170493  1  0  0  0
170494  1  0  0  0
170495  1  0  0  0
171173  1  0  0  0
171172  2  0  0  0
173174  1  0  0  0
173496  1  0  0  0
174176  1  0  0  0
174175  1  0  0  0
174497  1  0  0  0
175498  1  0  0  0
175499  1  0  0  0
175500  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178179  1  0  0  0
178501  1  0  0  0
179183  1  0  0  0
179180  1  0  0  0
179502  1  0  0  0
180182  1  0  0  0
180181  1  0  0  0
180503  1  0  0  0
181504  1  0  0  0
181505  1  0  0  0
181506  1  0  0  0
182507  1  0  0  0
182508  1  0  0  0
182509  1  0  0  0
183185  1  0  0  0
183184  2  0  0  0
185186  1  0  0  0
185510  1  0  0  0
186191  1  0  0  0
186187  1  0  0  0
186511  1  0  0  0
187188  1  0  0  0
187512  1  0  0  0
187513  1  0  0  0
188190  1  0  0  0
188189  1  0  0  0
188514  1  0  0  0
189515  1  0  0  0
189516  1  0  0  0
189517  1  0  0  0
190518  1  0  0  0
190519  1  0  0  0
190520  1  0  0  0
191193  1  0  0  0
191192  2  0  0  0
193194  1  0  0  0
193521  1  0  0  0
194195  1  0  0  0
194522  1  0  0  0
194523  1  0  0  0
195197  1  0  0  0
195196  2  0  0  0
197198  1  0  0  0
197524  1  0  0  0
198204  1  0  0  0
198199  1  0  0  0
198525  1  0  0  0
199200  1  0  0  0
199526  1  0  0  0
199527  1  0  0  0
200201  1  0  0  0
200528  1  0  0  0
200529  1  0  0  0
201202  1  0  0  0
201530  1  0  0  0
201531  1  0  0  0
202203  1  0  0  0
202532  1  0  0  0
202533  1  0  0  0
203534  1  0  0  0
203535  1  0  0  0
204206  1  0  0  0
204205  2  0  0  0
206207  1  0  0  0
206536  1  0  0  0
207215  1  0  0  0
207208  1  0  0  0
207537  1  0  0  0
208209  1  0  0  0
208538  1  0  0  0
208539  1  0  0  0
209210  1  0  0  0
209540  1  0  0  0
209541  1  0  0  0
210211  1  0  0  0
210542  1  0  0  0
210543  1  0  0  0
211212  1  0  0  0
211544  1  0  0  0
212214  1  0  0  0
212213  2  0  0  0
213545  1  0  0  0
214546  1  0  0  0
214547  1  0  0  0
215217  1  0  0  0
215216  2  0  0  0
217218  1  0  0  0
217548  1  0  0  0
218227  1  0  0  0
218219  1  0  0  0
218549  1  0  0  0
219220  1  0  0  0
219550  1  0  0  0
219551  1  0  0  0
220221  2  0  0  0
220225  1  0  0  0
221222  1  0  0  0
221552  1  0  0  0
222223  2  0  0  0
222553  1  0  0  0
223224  1  0  0  0
223226  1  0  0  0
224225  2  0  0  0
224554  1  0  0  0
225555  1  0  0  0
226556  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229230  1  0  0  0
229557  1  0  0  0
230236  1  0  0  0
230231  1  0  0  0
230558  1  0  0  0
231232  1  0  0  0
231559  1  0  0  0
231560  1  0  0  0
232233  1  0  0  0
232561  1  0  0  0
232562  1  0  0  0
233234  1  0  0  0
233563  1  0  0  0
233564  1  0  0  0
234235  1  0  0  0
234565  1  0  0  0
234566  1  0  0  0
235567  1  0  0  0
235568  1  0  0  0
236238  1  0  0  0
236237  2  0  0  0
238239  1  0  0  0
238569  1  0  0  0
239245  1  0  0  0
239240  1  0  0  0
239570  1  0  0  0
240241  1  0  0  0
240571  1  0  0  0
240572  1  0  0  0
241242  1  0  0  0
241573  1  0  0  0
241574  1  0  0  0
242244  1  0  0  0
242243  2  0  0  0
244575  1  0  0  0
244576  1  0  0  0
245247  1  0  0  0
245246  2  0  0  0
247248  1  0  0  0
247577  1  0  0  0
248256  1  0  0  0
248249  1  0  0  0
248578  1  0  0  0
249250  1  0  0  0
249579  1  0  0  0
249580  1  0  0  0
250251  1  0  0  0
250581  1  0  0  0
250582  1  0  0  0
251252  1  0  0  0
251583  1  0  0  0
251584  1  0  0  0
252253  1  0  0  0
252585  1  0  0  0
253255  1  0  0  0
253254  2  0  0  0
254586  1  0  0  0
255587  1  0  0  0
255588  1  0  0  0
256258  1  0  0  0
256257  2  0  0  0
258259  1  0  0  0
258589  1  0  0  0
259263  1  0  0  0
259260  1  0  0  0
259590  1  0  0  0
260262  1  0  0  0
260261  1  0  0  0
260591  1  0  0  0
261592  1  0  0  0
261593  1  0  0  0
261594  1  0  0  0
262595  1  0  0  0
262596  1  0  0  0
262597  1  0  0  0
263265  1  0  0  0
263264  2  0  0  0
265266  1  0  0  0
265598  1  0  0  0
266272  1  0  0  0
266267  1  0  0  0
266599  1  0  0  0
267268  1  0  0  0
267600  1  0  0  0
267601  1  0  0  0
268269  1  0  0  0
268602  1  0  0  0
268603  1  0  0  0
269270  1  0  0  0
269604  1  0  0  0
269605  1  0  0  0
270271  1  0  0  0
270606  1  0  0  0
270607  1  0  0  0
271608  1  0  0  0
271609  1  0  0  0
272274  1  0  0  0
272273  2  0  0  0
274275  1  0  0  0
274610  1  0  0  0
275280  1  0  0  0
275276  1  0  0  0
275611  1  0  0  0
276277  1  0  0  0
276612  1  0  0  0
276613  1  0  0  0
277279  1  0  0  0
277278  2  0  0  0
279614  1  0  0  0
279615  1  0  0  0
280282  1  0  0  0
280281  2  0  0  0
282283  1  0  0  0
282616  1  0  0  0
283289  1  0  0  0
283284  1  0  0  0
283617  1  0  0  0
284285  1  0  0  0
284618  1  0  0  0
284619  1  0  0  0
285286  1  0  0  0
285620  1  0  0  0
285621  1  0  0  0
286287  1  0  0  0
286622  1  0  0  0
286623  1  0  0  0
287288  1  0  0  0
287624  1  0  0  0
287625  1  0  0  0
288626  1  0  0  0
288627  1  0  0  0
289291  1  0  0  0
289290  2  0  0  0
291628  1  0  0  0
291629  1  0  0  0
292293  1  0  0  0
292630  1  0  0  0
293295  1  0  0  0
293294  2  0  0  0
295296  1  0  0  0
295631  1  0  0  0
295632  1  0  0  0
296297  1  0  0  0
296633  1  0  0  0
297299  1  0  0  0
297298  2  0  0  0
299304  1  0  0  0
299300  1  0  0  0
299634  1  0  0  0
300301  1  0  0  0
300635  1  0  0  0
300636  1  0  0  0
301303  1  0  0  0
301302  2  0  0  0
303637  1  0  0  0
304305  1  0  0  0
304638  1  0  0  0
305307  1  0  0  0
305306  2  0  0  0
307310  1  0  0  0
307308  1  0  0  0
307639  1  0  0  0
308309  1  0  0  0
308640  1  0  0  0
308641  1  0  0  0
309642  1  0  0  0
310311  1  0  0  0
310643  1  0  0  0
311313  1  0  0  0
311312  2  0  0  0
313320  1  0  0  0
313314  1  0  0  0
313644  1  0  0  0
314315  1  0  0  0
314645  1  0  0  0
314646  1  0  0  0
315316  2  0  0  0
315319  1  0  0  0
316317  1  0  0  0
316647  1  0  0  0
317318  1  0  0  0
317648  1  0  0  0
318319  2  0  0  0
318649  1  0  0  0
320650  1  0  0  0
320651  1  0  0  0
M  END

>  <Chemical Name>
AKOS024456450

>  <PubChem CID>
90479768

>  <Formula>
C203H331N63O53S

>  <Molecular Weight>
4534.329000

>  <IUPAC Name>
(3S)-4-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

>  <XlogP>
-16.6

>  <Hydrogen Bond Donors>
72

>  <Hydrogen Bond Acceptors>
67

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC6=CNC=N6)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC=N6)N

>  <InChI Std. ID>
InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,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-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1

>  <InChI Key>
UFTCZKMBJOPXDM-XXFCQBPRSA-N

