@MOLECULE podophyllic acid ethylhydrazide 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2020 2.3821 -1.0303 O.3 1 UNL11 -0.5689 2 O -2.8705 3.9640 2.5658 O.3 1 UNL11 -0.5487 3 O -3.0744 -3.7426 -0.1102 O.3 1 UNL11 -0.3388 4 O -4.8679 -2.5171 -1.0318 O.3 1 UNL11 -0.3379 5 O -0.6223 2.0553 -1.6629 O.2 1 UNL11 -0.5717 6 O 2.6111 -2.2356 -1.5395 O.3 1 UNL11 -0.2696 7 O 4.0279 -0.7278 2.5954 O.3 1 UNL11 -0.2652 8 O 4.4505 -2.1112 0.4026 O.3 1 UNL11 -0.2750 9 N 1.4471 1.9246 -0.8070 N.am 1 UNL11 -0.4659 10 N 2.0150 1.8487 -2.1059 N.3 1 UNL11 -0.3323 11 C -0.4536 1.8011 0.7633 C.3 1 UNL11 -0.1916 12 C -1.7776 2.5577 0.9123 C.3 1 UNL11 -0.2239 13 C -0.5989 0.3338 1.2435 C.3 1 UNL11 -0.1135 14 C -2.9808 1.8482 0.2500 C.3 1 UNL11 0.1611 15 C -1.7798 -0.3700 0.6359 C.ar 1 UNL11 -0.0117 16 C -2.8671 0.3474 0.1520 C.ar 1 UNL11 -0.0780 17 C -2.0813 2.8060 2.4007 C.3 1 UNL11 -0.0075 18 C 0.7195 -0.3657 1.0103 C.ar 1 UNL11 0.0797 19 C 0.0631 1.8958 -0.6667 C.2 1 UNL11 0.5655 20 C -1.7738 -1.7844 0.6213 C.ar 1 UNL11 -0.2094 21 C -3.9676 -0.2930 -0.4619 C.ar 1 UNL11 -0.1668 22 C -2.8533 -2.3969 0.0422 C.ar 1 UNL11 0.1332 23 C -3.9313 -1.6610 -0.5060 C.ar 1 UNL11 0.1163 24 C 1.7029 -0.2646 1.9947 C.ar 1 UNL11 -0.3793 25 C 0.9756 -1.0189 -0.1918 C.ar 1 UNL11 -0.3539 26 C 2.2345 -1.5821 -0.4176 C.ar 1 UNL11 0.2506 27 C 2.9657 -0.8157 1.7588 C.ar 1 UNL11 0.2345 28 C -4.3449 -3.8428 -0.7937 C.3 1 UNL11 0.1564 29 C 3.2457 -1.4832 0.5549 C.ar 1 UNL11 -0.0235 30 C 2.5790 3.1898 -2.4638 C.3 1 UNL11 -0.1109 31 C 3.0655 3.1158 -3.9111 C.3 1 UNL11 -0.4544 32 C 1.6701 -2.2647 -2.6091 C.3 1 UNL11 -0.2103 33 C 3.7766 -0.2186 3.8999 C.3 1 UNL11 -0.2178 34 C 5.3054 -1.4311 -0.5185 C.3 1 UNL11 -0.2142 35 H 0.3069 2.2986 1.4279 H 1 UNL11 0.1669 36 H -1.6722 3.5610 0.4126 H 1 UNL11 0.1844 37 H -0.7953 0.3665 2.3555 H 1 UNL11 0.1704 38 H -3.9297 2.1162 0.7841 H 1 UNL11 0.1422 39 H -2.6052 1.9541 2.8713 H 1 UNL11 0.1244 40 H -1.1747 3.0472 2.9866 H 1 UNL11 0.1381 41 H -0.9495 -2.3541 1.0452 H 1 UNL11 0.1894 42 H -4.7842 0.2889 -0.8864 H 1 UNL11 0.1904 43 H -2.3654 2.2872 -1.5603 H 1 UNL11 0.3605 44 H 1.4863 0.2342 2.9315 H 1 UNL11 0.1689 45 H 0.1974 -1.0805 -0.9503 H 1 UNL11 0.1887 46 H 2.0672 1.4838 -0.1264 H 1 UNL11 0.3342 47 H -3.6140 3.9778 1.9285 H 1 UNL11 0.3206 48 H -5.0438 -4.3645 -0.1262 H 1 UNL11 0.1390 49 H -4.1634 -4.3130 -1.7698 H 1 UNL11 0.1410 50 H 1.2691 1.6012 -2.7823 H 1 UNL11 0.2711 51 H 3.4255 3.3974 -1.7739 H 1 UNL11 0.1448 52 H 1.8451 4.0125 -2.3331 H 1 UNL11 0.1332 53 H 3.5916 4.0342 -4.1937 H 1 UNL11 0.1500 54 H 2.2370 2.9821 -4.6161 H 1 UNL11 0.1496 55 H 3.7610 2.2774 -4.0532 H 1 UNL11 0.1603 56 H 2.2296 -2.8017 -3.3867 H 1 UNL11 0.1527 57 H 1.4229 -1.2521 -2.9438 H 1 UNL11 0.1401 58 H 0.7735 -2.8249 -2.3246 H 1 UNL11 0.1425 59 H 4.7583 -0.3336 4.3805 H 1 UNL11 0.1548 60 H 3.0268 -0.8198 4.4231 H 1 UNL11 0.1386 61 H 3.4923 0.8367 3.8594 H 1 UNL11 0.1321 62 H 4.8603 -1.4072 -1.5186 H 1 UNL11 0.1408 63 H 5.5273 -0.4214 -0.1643 H 1 UNL11 0.1275 64 H 6.2059 -2.0557 -0.5075 H 1 UNL11 0.1459 @BOND 1 1 14 1 2 1 43 1 3 2 17 1 4 2 47 1 5 3 22 1 6 3 28 1 7 4 23 1 8 4 28 1 9 5 19 2 10 6 26 1 11 6 32 1 12 7 27 1 13 7 33 1 14 8 29 1 15 8 34 1 16 9 10 1 17 9 19 am 18 9 46 1 19 10 30 1 20 10 50 1 21 11 12 1 22 11 13 1 23 11 19 1 24 11 35 1 25 12 14 1 26 12 17 1 27 12 36 1 28 13 15 1 29 13 18 1 30 13 37 1 31 14 16 1 32 14 38 1 33 15 16 ar 34 15 20 ar 35 16 21 ar 36 17 39 1 37 17 40 1 38 18 24 ar 39 18 25 ar 40 20 22 ar 41 20 41 1 42 21 23 ar 43 21 42 1 44 22 23 ar 45 24 27 ar 46 24 44 1 47 25 26 ar 48 25 45 1 49 26 29 ar 50 27 29 ar 51 28 48 1 52 28 49 1 53 30 31 1 54 30 51 1 55 30 52 1 56 31 53 1 57 31 54 1 58 31 55 1 59 32 56 1 60 32 57 1 61 32 58 1 62 33 59 1 63 33 60 1 64 33 61 1 65 34 62 1 66 34 63 1 67 34 64 1