@MOLECULE veratraman-6(5h)-one, 17,23-epoxy-3-hydroxy-, (3beta,5alpha,23beta)- 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9551 -0.1051 -0.7887 O.3 1 UNL1111111111 -0.4302 2 O 4.7595 -2.2394 -1.6650 O.2 1 UNL1111111111 -0.4605 3 O 7.7197 1.6262 -0.1873 O.3 1 UNL1111111111 -0.5754 4 N -6.0846 0.0016 1.0006 N.3 1 UNL1111111111 -0.5421 5 C 2.3746 -0.0017 0.6859 C.3 1 UNL1111111111 -0.1535 6 C 1.8134 -1.1068 -0.2494 C.3 1 UNL1111111111 -0.1122 7 C 3.6450 0.6181 0.0713 C.3 1 UNL1111111111 0.0872 8 C 0.4317 -1.3834 0.3754 C.3 1 UNL1111111111 -0.1252 9 C 1.1544 0.9070 0.9384 C.3 1 UNL1111111111 -0.2862 10 C -0.0364 0.0043 0.7552 C.2 1 UNL1111111111 -0.0193 11 C 4.6783 -0.5487 0.0175 C.3 1 UNL1111111111 -0.2340 12 C -2.4284 -0.6155 0.4586 C.3 1 UNL1111111111 0.2559 13 C -0.5832 -2.0232 -0.5696 C.3 1 UNL1111111111 -0.2695 14 C 2.7889 -2.2714 -0.3375 C.3 1 UNL1111111111 -0.3989 15 C -1.3238 0.3611 0.8042 C.2 1 UNL1111111111 -0.0760 16 C 4.2078 1.7078 1.0093 C.3 1 UNL1111111111 -0.2903 17 C -1.9344 -2.0403 0.1530 C.3 1 UNL1111111111 -0.3088 18 C -3.5988 -0.5827 1.5186 C.3 1 UNL1111111111 -0.1653 19 C 4.1381 -1.7297 -0.7688 C.2 1 UNL1111111111 0.4751 20 C 6.0195 -0.0666 -0.5305 C.3 1 UNL1111111111 -0.3325 21 C -4.6544 0.2644 0.7698 C.3 1 UNL1111111111 -0.0301 22 C 3.3777 1.2055 -1.3173 C.3 1 UNL1111111111 -0.4617 23 C -4.3698 -0.1230 -0.7053 C.3 1 UNL1111111111 0.1040 24 C 5.5895 2.1962 0.5655 C.3 1 UNL1111111111 -0.2995 25 C 6.5710 1.0277 0.3946 C.3 1 UNL1111111111 0.1681 26 C -5.0274 0.8936 -1.6240 C.3 1 UNL1111111111 -0.3188 27 C -1.7505 1.7621 1.0878 C.3 1 UNL1111111111 -0.4390 28 C -4.1428 -1.9428 1.9331 C.3 1 UNL1111111111 -0.4345 29 C -6.5433 0.8047 -1.3363 C.3 1 UNL1111111111 -0.0815 30 C -6.8700 0.9619 0.1756 C.3 1 UNL1111111111 -0.1260 31 C -7.2922 1.8792 -2.1256 C.3 1 UNL1111111111 -0.4590 32 H 2.6542 -0.4643 1.6640 H 1 UNL1111111111 0.1370 33 H 1.6522 -0.6933 -1.2756 H 1 UNL1111111111 0.1562 34 H 0.5424 -2.0114 1.2901 H 1 UNL1111111111 0.1458 35 H 1.1189 1.7475 0.2197 H 1 UNL1111111111 0.1568 36 H 1.1824 1.3577 1.9440 H 1 UNL1111111111 0.1465 37 H 4.8412 -0.9129 1.0666 H 1 UNL1111111111 0.1574 38 H -0.2752 -3.0426 -0.8563 H 1 UNL1111111111 0.1364 39 H -0.6666 -1.4435 -1.5103 H 1 UNL1111111111 0.1593 40 H 2.4315 -3.0350 -1.0578 H 1 UNL1111111111 0.1756 41 H 2.8867 -2.7997 0.6290 H 1 UNL1111111111 0.1647 42 H 3.5058 2.5624 1.0438 H 1 UNL1111111111 0.1441 43 H 4.2618 1.3230 2.0447 H 1 UNL1111111111 0.1363 44 H -1.8436 -2.6241 1.0874 H 1 UNL1111111111 0.1449 45 H -2.6908 -2.5543 -0.4709 H 1 UNL1111111111 0.1550 46 H -3.2459 -0.0553 2.4309 H 1 UNL1111111111 0.1432 47 H -4.4111 1.3471 0.9327 H 1 UNL1111111111 0.1226 48 H 6.7290 -0.9110 -0.6158 H 1 UNL1111111111 0.1523 49 H 5.9100 0.3193 -1.5631 H 1 UNL1111111111 0.1699 50 H 4.2297 1.7938 -1.6800 H 1 UNL1111111111 0.1567 51 H 3.1968 0.4258 -2.0668 H 1 UNL1111111111 0.1530 52 H 2.5057 1.8692 -1.3115 H 1 UNL1111111111 0.1505 53 H -4.7088 -1.1579 -0.9334 H 1 UNL1111111111 0.1363 54 H 5.5249 2.7585 -0.3874 H 1 UNL1111111111 0.1597 55 H 5.9992 2.9191 1.2959 H 1 UNL1111111111 0.1468 56 H 6.8788 0.6088 1.3779 H 1 UNL1111111111 0.1094 57 H -4.8137 0.6717 -2.6842 H 1 UNL1111111111 0.1528 58 H -4.6365 1.9097 -1.4464 H 1 UNL1111111111 0.1497 59 H -0.9126 2.4712 1.0856 H 1 UNL1111111111 0.1512 60 H -2.2433 1.8503 2.0646 H 1 UNL1111111111 0.1465 61 H -2.4577 2.1094 0.3156 H 1 UNL1111111111 0.1665 62 H -4.5284 -2.5058 1.0732 H 1 UNL1111111111 0.1586 63 H -3.3875 -2.5525 2.4397 H 1 UNL1111111111 0.1408 64 H -4.9874 -1.8298 2.6252 H 1 UNL1111111111 0.1489 65 H -6.3280 0.0802 1.9845 H 1 UNL1111111111 0.2544 66 H -6.8983 -0.2064 -1.6550 H 1 UNL1111111111 0.1462 67 H -6.7048 2.0151 0.4848 H 1 UNL1111111111 0.1134 68 H -7.9447 0.7325 0.3392 H 1 UNL1111111111 0.1386 69 H 8.3414 0.9509 -0.5132 H 1 UNL1111111111 0.3165 70 H -6.9744 2.8886 -1.8421 H 1 UNL1111111111 0.1458 71 H -7.1158 1.7727 -3.2024 H 1 UNL1111111111 0.1495 72 H -8.3741 1.8147 -1.9663 H 1 UNL1111111111 0.1437 @BOND 1 1 12 1 2 1 23 1 3 2 19 2 4 3 25 1 5 3 69 1 6 4 21 1 7 4 30 1 8 4 65 1 9 5 6 1 10 5 7 1 11 5 9 1 12 5 32 1 13 6 8 1 14 6 14 1 15 6 33 1 16 7 11 1 17 7 16 1 18 7 22 1 19 8 10 1 20 8 13 1 21 8 34 1 22 9 10 1 23 9 35 1 24 9 36 1 25 10 15 2 26 11 19 1 27 11 20 1 28 11 37 1 29 12 15 1 30 12 17 1 31 12 18 1 32 13 17 1 33 13 38 1 34 13 39 1 35 14 19 1 36 14 40 1 37 14 41 1 38 15 27 1 39 16 24 1 40 16 42 1 41 16 43 1 42 17 44 1 43 17 45 1 44 18 21 1 45 18 28 1 46 18 46 1 47 20 25 1 48 20 48 1 49 20 49 1 50 21 23 1 51 21 47 1 52 22 50 1 53 22 51 1 54 22 52 1 55 23 26 1 56 23 53 1 57 24 25 1 58 24 54 1 59 24 55 1 60 25 56 1 61 26 29 1 62 26 57 1 63 26 58 1 64 27 59 1 65 27 60 1 66 27 61 1 67 28 62 1 68 28 63 1 69 28 64 1 70 29 30 1 71 29 31 1 72 29 66 1 73 30 67 1 74 30 68 1 75 31 70 1 76 31 71 1 77 31 72 1