@MOLECULE yadanzioside p 96 101 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0905 -2.4012 0.7849 O.3 1 UNL1111111111 -0.3954 2 O -0.9564 2.1286 1.1508 O.3 1 UNL1111111111 -0.4382 3 O -0.2980 -2.7091 -1.2557 O.3 1 UNL1111111111 -0.5624 4 O -2.9622 -0.6658 -2.3061 O.3 1 UNL1111111111 -0.5855 5 O -4.2289 1.5807 0.3573 O.3 1 UNL1111111111 -0.4027 6 O -4.5293 -3.1285 -0.3322 O.3 1 UNL1111111111 -0.3760 7 O -5.1601 -1.3581 0.9084 O.2 1 UNL1111111111 -0.5004 8 O -2.2669 3.4886 0.0993 O.2 1 UNL1111111111 -0.4005 9 O 5.0294 1.4033 -1.1302 O.2 1 UNL1111111111 -0.3391 10 O 3.8597 -0.1195 -3.0417 O.2 1 UNL1111111111 -0.4489 11 O -5.2127 0.3245 -1.2342 O.2 1 UNL1111111111 -0.5971 12 O 5.5751 0.0216 0.5632 O.3 1 UNL1111111111 -0.4769 13 O 7.7565 1.0242 -2.1825 O.3 1 UNL1111111111 -0.5576 14 O 9.4955 0.9183 0.1713 O.3 1 UNL1111111111 -0.5665 15 O 8.6632 -1.3281 1.7834 O.3 1 UNL1111111111 -0.5506 16 O 4.5551 -1.8057 2.3833 O.3 1 UNL1111111111 -0.5474 17 C -1.0181 -0.2880 0.7374 C.3 1 UNL1111111111 -0.0449 18 C -0.3681 -0.3088 -0.6622 C.3 1 UNL1111111111 -0.1832 19 C -2.5637 -0.1109 0.6169 C.3 1 UNL1111111111 -0.2248 20 C 1.1827 -0.2032 -0.6278 C.3 1 UNL1111111111 0.1143 21 C -2.8944 -1.4859 0.0157 C.3 1 UNL1111111111 0.1103 22 C -0.5080 0.8529 1.6085 C.3 1 UNL1111111111 0.1312 23 C -0.8916 -1.4727 -1.5445 C.3 1 UNL1111111111 0.1419 24 C 1.5347 1.0996 0.1610 C.3 1 UNL1111111111 -0.1645 25 C -1.0131 -1.6745 1.4073 C.3 1 UNL1111111111 -0.0636 26 C -2.4346 -1.6395 -1.4530 C.3 1 UNL1111111111 0.0676 27 C 1.0159 1.0022 1.6003 C.3 1 UNL1111111111 -0.3007 28 C -2.9370 1.1802 -0.0806 C.3 1 UNL1111111111 0.0170 29 C 1.6872 -0.0341 -2.0800 C.3 1 UNL1111111111 -0.4166 30 C 1.8920 -1.4128 -0.0182 C.3 1 UNL1111111111 -0.4789 31 C 3.0021 1.4093 0.0869 C.2 1 UNL1111111111 0.0847 32 C -4.3244 -1.9368 0.2650 C.2 1 UNL1111111111 0.5746 33 C -2.0602 2.3439 0.3928 C.2 1 UNL1111111111 0.5683 34 C 3.1635 0.2603 -2.1316 C.2 1 UNL1111111111 0.4632 35 C 3.7071 1.0311 -0.9965 C.2 1 UNL1111111111 -0.0450 36 C 3.6373 2.1745 1.1883 C.3 1 UNL1111111111 -0.4552 37 C -5.3213 1.0778 -0.2893 C.2 1 UNL1111111111 0.6962 38 C -5.8340 -3.6868 -0.1950 C.3 1 UNL1111111111 -0.1737 39 C 5.9118 0.3544 -0.7744 C.3 1 UNL1111111111 0.2539 40 C -6.5276 1.6013 0.3262 C.2 1 UNL1111111111 -0.3988 41 C 7.3085 1.0021 -0.8436 C.3 1 UNL1111111111 0.0314 42 C 8.3487 0.1406 -0.1065 C.3 1 UNL1111111111 0.0728 43 C 6.4435 -0.9254 1.1605 C.3 1 UNL1111111111 0.0487 44 C -7.7360 1.0359 0.1297 C.2 1 UNL1111111111 0.2140 45 C 7.8438 -0.2946 1.2829 C.3 1 UNL1111111111 0.0734 46 C -8.9492 1.6152 0.8161 C.3 1 UNL1111111111 -0.1049 47 C 5.8059 -1.1704 2.5353 C.3 1 UNL1111111111 -0.0118 48 C -7.9206 -0.1576 -0.7320 C.3 1 UNL1111111111 -0.4853 49 C -9.9904 2.0448 -0.2227 C.3 1 UNL1111111111 -0.4437 50 C -9.5262 0.5851 1.7935 C.3 1 UNL1111111111 -0.4439 51 H -0.7190 0.6230 -1.1928 H 1 UNL1111111111 0.1596 52 H -3.0309 -0.0679 1.6441 H 1 UNL1111111111 0.1952 53 H -0.8997 0.7775 2.6513 H 1 UNL1111111111 0.1379 54 H -0.6045 -1.3030 -2.6127 H 1 UNL1111111111 0.1632 55 H 1.0025 1.9641 -0.3335 H 1 UNL1111111111 0.1815 56 H -1.2324 -1.6449 2.4867 H 1 UNL1111111111 0.1373 57 H -0.1112 -2.2817 1.2267 H 1 UNL1111111111 0.1648 58 H -2.7355 -2.6374 -1.8566 H 1 UNL1111111111 0.1628 59 H 1.2825 1.9208 2.1666 H 1 UNL1111111111 0.1680 60 H 1.4879 0.1628 2.1427 H 1 UNL1111111111 0.1562 61 H -2.9010 1.1351 -1.2003 H 1 UNL1111111111 0.2017 62 H 1.4792 -0.9582 -2.6653 H 1 UNL1111111111 0.1941 63 H 1.1429 0.7768 -2.6059 H 1 UNL1111111111 0.1777 64 H 1.6038 -1.5990 1.0192 H 1 UNL1111111111 0.1428 65 H 1.6806 -2.3308 -0.5905 H 1 UNL1111111111 0.1885 66 H 2.9829 -1.2903 -0.0310 H 1 UNL1111111111 0.1490 67 H -0.7544 -3.1541 -0.5088 H 1 UNL1111111111 0.3370 68 H -3.8683 -0.3738 -2.0235 H 1 UNL1111111111 0.3686 69 H 4.6720 2.4740 0.9421 H 1 UNL1111111111 0.1824 70 H 3.0841 3.0950 1.4246 H 1 UNL1111111111 0.1638 71 H 3.7086 1.5716 2.1070 H 1 UNL1111111111 0.1660 72 H -6.5377 -3.1189 -0.8123 H 1 UNL1111111111 0.1386 73 H -6.1512 -3.6917 0.8534 H 1 UNL1111111111 0.1452 74 H -5.7019 -4.7077 -0.5751 H 1 UNL1111111111 0.1540 75 H 5.7708 -0.5257 -1.4359 H 1 UNL1111111111 0.1490 76 H -6.3844 2.4654 0.9778 H 1 UNL1111111111 0.1955 77 H 7.2940 2.0489 -0.4623 H 1 UNL1111111111 0.1614 78 H 8.6609 -0.7326 -0.7264 H 1 UNL1111111111 0.1571 79 H 6.4636 -1.8591 0.5552 H 1 UNL1111111111 0.1550 80 H 7.8650 0.5573 1.9983 H 1 UNL1111111111 0.1483 81 H 7.0300 1.3098 -2.7823 H 1 UNL1111111111 0.3441 82 H -8.6527 2.5237 1.4049 H 1 UNL1111111111 0.1500 83 H 6.4049 -1.8849 3.1337 H 1 UNL1111111111 0.1636 84 H 5.6581 -0.2309 3.0966 H 1 UNL1111111111 0.1256 85 H -7.5955 0.0438 -1.7695 H 1 UNL1111111111 0.1891 86 H -7.2796 -0.9911 -0.3851 H 1 UNL1111111111 0.1886 87 H -8.9518 -0.5247 -0.7716 H 1 UNL1111111111 0.1560 88 H 9.8411 1.3117 -0.6614 H 1 UNL1111111111 0.3409 89 H 9.6050 -1.0416 1.7575 H 1 UNL1111111111 0.3389 90 H -10.3847 1.1937 -0.7885 H 1 UNL1111111111 0.1481 91 H -10.8430 2.5383 0.2578 H 1 UNL1111111111 0.1484 92 H -9.5643 2.7520 -0.9450 H 1 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73 1 73 38 74 1 74 39 41 1 75 39 75 1 76 40 44 2 77 40 76 1 78 41 42 1 79 41 77 1 80 42 45 1 81 42 78 1 82 43 45 1 83 43 47 1 84 43 79 1 85 44 46 1 86 44 48 1 87 45 80 1 88 46 49 1 89 46 50 1 90 46 82 1 91 47 83 1 92 47 84 1 93 48 85 1 94 48 86 1 95 48 87 1 96 49 90 1 97 49 91 1 98 49 92 1 99 50 93 1 100 50 94 1 101 50 95 1