@MOLECULE (3beta,22s,23r)-17,23-epoxyveratraman-3-yl beta-d-glucopyranoside 92 98 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9197 0.6696 -0.4341 O.3 1 UNL11 -0.4311 2 O 4.9508 1.0695 0.5639 O.3 1 UNL11 -0.4358 3 O 6.4053 -0.6446 0.6778 O.3 1 UNL11 -0.4686 4 O 6.9223 2.6261 -0.8393 O.3 1 UNL11 -0.5595 5 O 9.5712 1.8154 0.0330 O.3 1 UNL11 -0.5639 6 O 9.8346 -1.0423 -0.3111 O.3 1 UNL11 -0.5508 7 O 6.6561 -3.4299 0.8816 O.3 1 UNL11 -0.5378 8 N -8.8906 -1.0861 0.6101 N.3 1 UNL11 -0.5428 9 C -0.4673 -0.3623 0.0580 C.3 1 UNL11 -0.1395 10 C -1.1031 -0.1290 -1.3358 C.3 1 UNL11 -0.1199 11 C -2.4724 -0.8192 -1.1989 C.3 1 UNL11 -0.1325 12 C 0.7716 0.5413 0.2316 C.3 1 UNL11 0.0665 13 C -5.2951 -0.6326 -0.3398 C.3 1 UNL11 0.2590 14 C -2.8738 -0.5006 0.2226 C.2 1 UNL11 -0.0110 15 C -1.6470 -0.1994 1.0397 C.3 1 UNL11 -0.2916 16 C -3.5474 -0.3064 -2.1555 C.3 1 UNL11 -0.2692 17 C -4.8618 -0.9943 -1.7724 C.3 1 UNL11 -0.3074 18 C -4.1468 -0.4148 0.6223 C.2 1 UNL11 -0.0802 19 C -6.3696 -1.6304 0.2510 C.3 1 UNL11 -0.1660 20 C -0.1596 -0.6743 -2.4030 C.3 1 UNL11 -0.2822 21 C 1.6480 0.3646 -0.9955 C.2 1 UNL11 -0.0161 22 C -7.4858 -0.6506 0.6837 C.3 1 UNL11 -0.0296 23 C 1.5173 0.0782 1.5073 C.3 1 UNL11 -0.2823 24 C -7.3226 0.4828 -0.3626 C.3 1 UNL11 0.1036 25 C 1.2274 -0.1711 -2.1505 C.2 1 UNL11 -0.1973 26 C 0.3937 2.0253 0.3514 C.3 1 UNL11 -0.4504 27 C 3.0497 0.8827 -0.8823 C.3 1 UNL11 -0.3434 28 C 2.9087 0.6978 1.6377 C.3 1 UNL11 -0.3024 29 C 3.7242 0.3511 0.3898 C.3 1 UNL11 0.1459 30 C -8.0608 1.7197 0.1217 C.3 1 UNL11 -0.3186 31 C -4.5224 -0.0059 2.0069 C.3 1 UNL11 -0.4371 32 C -6.8795 -2.6911 -0.7143 C.3 1 UNL11 -0.4344 33 C -9.5475 1.3096 0.2245 C.3 1 UNL11 -0.0817 34 C -9.7507 0.0325 1.0877 C.3 1 UNL11 -0.1257 35 C -10.3686 2.4540 0.8201 C.3 1 UNL11 -0.4591 36 C 6.0545 0.5091 -0.0788 C.3 1 UNL11 0.2728 37 C 7.1686 1.5697 0.0653 C.3 1 UNL11 0.0319 38 C 8.5128 0.9756 -0.3814 C.3 1 UNL11 0.0681 39 C 7.5658 -1.3032 0.2002 C.3 1 UNL11 0.0473 40 C 8.7810 -0.3619 0.3359 C.3 1 UNL11 0.0714 41 C 7.7031 -2.5188 1.1292 C.3 1 UNL11 -0.0120 42 H -0.1203 -1.4240 0.1120 H 1 UNL11 0.1413 43 H -1.2600 0.9609 -1.5083 H 1 UNL11 0.1483 44 H -2.3564 -1.9221 -1.3206 H 1 UNL11 0.1468 45 H -1.6977 0.8273 1.4478 H 1 UNL11 0.1558 46 H -1.5513 -0.8758 1.9051 H 1 UNL11 0.1470 47 H -3.2806 -0.5169 -3.2046 H 1 UNL11 0.1341 48 H -3.6565 0.7930 -2.0733 H 1 UNL11 0.1566 49 H -5.6647 -0.6979 -2.4740 H 1 UNL11 0.1530 50 H -4.7402 -2.0888 -1.8738 H 1 UNL11 0.1455 51 H -5.9349 -2.1443 1.1355 H 1 UNL11 0.1437 52 H -0.5055 -0.3754 -3.4124 H 1 UNL11 0.1460 53 H -0.1607 -1.7840 -2.4052 H 1 UNL11 0.1497 54 H -7.2341 -0.2643 1.7058 H 1 UNL11 0.1224 55 H 1.6055 -1.0260 1.5036 H 1 UNL11 0.1419 56 H 0.9083 0.3289 2.3960 H 1 UNL11 0.1445 57 H -7.6746 0.1676 -1.3700 H 1 UNL11 0.1355 58 H 1.8970 -0.2726 -3.0026 H 1 UNL11 0.1422 59 H -0.2507 2.2084 1.2176 H 1 UNL11 0.1470 60 H -0.1417 2.3735 -0.5398 H 1 UNL11 0.1518 61 H 1.2817 2.6563 0.4650 H 1 UNL11 0.1464 62 H 3.6549 0.6210 -1.7713 H 1 UNL11 0.1471 63 H 3.0340 1.9937 -0.8589 H 1 UNL11 0.1641 64 H 2.8489 1.7951 1.7647 H 1 UNL11 0.1545 65 H 3.4236 0.3246 2.5433 H 1 UNL11 0.1520 66 H 3.9256 -0.7386 0.3254 H 1 UNL11 0.1326 67 H -7.9315 2.5626 -0.5791 H 1 UNL11 0.1520 68 H -7.6664 2.0717 1.0898 H 1 UNL11 0.1498 69 H -5.2854 0.7899 1.9781 H 1 UNL11 0.1650 70 H -3.6729 0.3948 2.5749 H 1 UNL11 0.1508 71 H -4.9296 -0.8454 2.5847 H 1 UNL11 0.1452 72 H -7.3423 -2.2427 -1.6032 H 1 UNL11 0.1581 73 H -7.6579 -3.3054 -0.2430 H 1 UNL11 0.1479 74 H -6.0838 -3.3700 -1.0384 H 1 UNL11 0.1411 75 H -9.0522 -1.9292 1.1547 H 1 UNL11 0.2543 76 H -9.9177 1.0835 -0.8059 H 1 UNL11 0.1457 77 H -9.5724 0.2735 2.1564 H 1 UNL11 0.1132 78 H -10.8058 -0.3025 0.9953 H 1 UNL11 0.1380 79 H -10.0427 2.7028 1.8361 H 1 UNL11 0.1457 80 H -11.4340 2.2038 0.8648 H 1 UNL11 0.1434 81 H -10.2732 3.3636 0.2156 H 1 UNL11 0.1490 82 H 5.8330 0.2210 -1.1255 H 1 UNL11 0.1237 83 H 7.2136 1.9754 1.1003 H 1 UNL11 0.1608 84 H 8.5668 0.8729 -1.4898 H 1 UNL11 0.1525 85 H 7.4129 -1.6228 -0.8545 H 1 UNL11 0.1514 86 H 9.0670 -0.1882 1.3975 H 1 UNL11 0.1500 87 H 6.0449 3.0273 -0.6525 H 1 UNL11 0.3365 88 H 7.6891 -2.2281 2.1947 H 1 UNL11 0.1294 89 H 8.6214 -3.0944 0.8989 H 1 UNL11 0.1618 90 H 9.4102 2.7320 -0.2846 H 1 UNL11 0.3392 91 H 10.6159 -0.4472 -0.3794 H 1 UNL11 0.3376 92 H 5.7928 -2.9813 1.0133 H 1 UNL11 0.3215 @BOND 1 1 13 1 2 1 24 1 3 2 29 1 4 2 36 1 5 3 36 1 6 3 39 1 7 4 37 1 8 4 87 1 9 5 38 1 10 5 90 1 11 6 40 1 12 6 91 1 13 7 41 1 14 7 92 1 15 8 22 1 16 8 34 1 17 8 75 1 18 9 10 1 19 9 15 1 20 9 42 1 21 10 11 1 22 10 20 1 23 10 43 1 24 11 14 1 25 11 16 1 26 11 44 1 27 12 9 1 28 12 21 1 29 12 23 1 30 12 26 1 31 13 17 1 32 13 18 1 33 13 19 1 34 14 15 1 35 14 18 2 36 15 45 1 37 15 46 1 38 16 17 1 39 16 47 1 40 16 48 1 41 17 49 1 42 17 50 1 43 18 31 1 44 19 22 1 45 19 32 1 46 19 51 1 47 20 25 1 48 20 52 1 49 20 53 1 50 21 25 2 51 21 27 1 52 22 24 1 53 22 54 1 54 23 28 1 55 23 55 1 56 23 56 1 57 24 30 1 58 24 57 1 59 25 58 1 60 26 59 1 61 26 60 1 62 26 61 1 63 27 29 1 64 27 62 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