@MOLECULE (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6293 -1.9799 1.1900 O.3 1 UNL1111111111 -0.4766 2 N 1.5227 0.8143 -0.1359 N.3 1 UNL1111111111 -0.4494 3 C -1.2240 1.4136 0.6276 C.3 1 UNL1111111111 0.0595 4 C -0.4998 2.1266 -0.5398 C.3 1 UNL1111111111 -0.1139 5 C 0.5079 1.1313 -1.1652 C.3 1 UNL1111111111 0.0508 6 C -0.1493 1.0239 1.6734 C.3 1 UNL1111111111 -0.2926 7 C -0.2420 -0.0823 -1.7646 C.3 1 UNL1111111111 -0.3263 8 C -1.8973 0.1444 0.1584 C.ar 1 UNL1111111111 0.0454 9 C 0.9447 0.1411 1.0507 C.3 1 UNL1111111111 -0.1058 10 C -1.4051 -0.5611 -0.9523 C.ar 1 UNL1111111111 -0.0683 11 C -2.2194 2.3850 1.2798 C.3 1 UNL1111111111 -0.4588 12 C -1.4605 2.6620 -1.6019 C.3 1 UNL1111111111 -0.4563 13 C 2.6523 0.0231 -0.6888 C.3 1 UNL1111111111 -0.1042 14 C -2.9848 -0.3652 0.8650 C.ar 1 UNL1111111111 -0.2692 15 C -2.0128 -1.7541 -1.3506 C.ar 1 UNL1111111111 -0.1112 16 C -3.5717 -1.5592 0.4421 C.ar 1 UNL1111111111 0.2839 17 C -3.1057 -2.2709 -0.6613 C.ar 1 UNL1111111111 -0.3094 18 C 3.8324 0.1445 0.2288 C.2 1 UNL1111111111 -0.2292 19 C 4.8096 -0.7665 0.3117 C.2 1 UNL1111111111 0.0340 20 C 5.9724 -0.5763 1.2300 C.3 1 UNL1111111111 -0.4523 21 C 4.8224 -2.0256 -0.4920 C.3 1 UNL1111111111 -0.4550 22 H 0.0842 2.9835 -0.1190 H 1 UNL1111111111 0.1522 23 H 1.0543 1.6533 -1.9956 H 1 UNL1111111111 0.1329 24 H -0.6160 0.4923 2.5213 H 1 UNL1111111111 0.1428 25 H 0.3083 1.9432 2.0859 H 1 UNL1111111111 0.1525 26 H 0.4740 -0.9133 -1.9256 H 1 UNL1111111111 0.1488 27 H -0.6046 0.1960 -2.7778 H 1 UNL1111111111 0.1541 28 H 1.7652 -0.0118 1.7875 H 1 UNL1111111111 0.1419 29 H 0.5338 -0.8641 0.8112 H 1 UNL1111111111 0.1237 30 H -3.1076 2.5231 0.6519 H 1 UNL1111111111 0.1536 31 H -2.5582 2.0272 2.2581 H 1 UNL1111111111 0.1477 32 H -1.7656 3.3701 1.4350 H 1 UNL1111111111 0.1487 33 H -0.9216 3.0165 -2.4866 H 1 UNL1111111111 0.1412 34 H -2.1709 1.8924 -1.9285 H 1 UNL1111111111 0.1551 35 H -2.0475 3.5038 -1.2182 H 1 UNL1111111111 0.1462 36 H 2.3790 -1.0429 -0.8592 H 1 UNL1111111111 0.1209 37 H 2.9310 0.4449 -1.6841 H 1 UNL1111111111 0.1435 38 H -3.3870 0.1391 1.7399 H 1 UNL1111111111 0.1794 39 H -1.6267 -2.2927 -2.2157 H 1 UNL1111111111 0.1502 40 H -3.5730 -3.1960 -0.9751 H 1 UNL1111111111 0.1595 41 H 3.8433 1.0594 0.8213 H 1 UNL1111111111 0.1677 42 H -5.0062 -2.8261 0.8528 H 1 UNL1111111111 0.3236 43 H 6.0553 -1.4089 1.9428 H 1 UNL1111111111 0.1540 44 H 5.9006 0.3473 1.8195 H 1 UNL1111111111 0.1519 45 H 6.9161 -0.5283 0.6686 H 1 UNL1111111111 0.1531 46 H 3.9560 -2.6597 -0.2523 H 1 UNL1111111111 0.1564 47 H 5.7200 -2.6314 -0.3146 H 1 UNL1111111111 0.1504 48 H 4.7879 -1.8137 -1.5698 H 1 UNL1111111111 0.1530 @BOND 1 1 16 1 2 1 42 1 3 2 5 1 4 2 9 1 5 2 13 1 6 3 4 1 7 3 6 1 8 3 8 1 9 3 11 1 10 4 5 1 11 4 12 1 12 4 22 1 13 5 7 1 14 5 23 1 15 6 9 1 16 6 24 1 17 6 25 1 18 7 10 1 19 7 26 1 20 7 27 1 21 8 10 ar 22 8 14 ar 23 9 28 1 24 9 29 1 25 10 15 ar 26 11 30 1 27 11 31 1 28 11 32 1 29 12 33 1 30 12 34 1 31 12 35 1 32 13 18 1 33 13 36 1 34 13 37 1 35 14 16 ar 36 14 38 1 37 15 17 ar 38 15 39 1 39 16 17 ar 40 17 40 1 41 18 19 2 42 18 41 1 43 19 20 1 44 19 21 1 45 20 43 1 46 20 44 1 47 20 45 1 48 21 46 1 49 21 47 1 50 21 48 1