@MOLECULE (4as,6r,8as)-3-methoxy-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-yl (3r)-3-hydroxybutanoate 51 54 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0204 -0.1258 1.8886 O.3 1 UNL111111111 -0.3285 2 O 1.9474 1.2291 0.4338 O.3 1 UNL111111111 -0.4374 3 O 0.8050 -2.9855 1.4871 O.3 1 UNL111111111 -0.3057 4 O 3.4559 2.3122 -0.8409 O.2 1 UNL111111111 -0.5109 5 O 1.4053 -0.1442 -1.8853 O.3 1 UNL111111111 -0.5739 6 N -4.2046 0.1327 -0.8954 N.3 1 UNL111111111 -0.5372 7 C -1.5232 1.1097 0.4563 C.3 1 UNL111111111 0.0158 8 C -0.6795 1.1443 1.7826 C.3 1 UNL111111111 0.0943 9 C -1.4263 -0.3511 0.0911 C.ar 1 UNL111111111 -0.0993 10 C -2.9727 1.5202 0.7601 C.3 1 UNL111111111 -0.2826 11 C 0.3925 2.2186 1.8859 C.3 1 UNL111111111 -0.3354 12 C -0.9322 1.9261 -0.6520 C.2 1 UNL111111111 -0.1315 13 C -0.4901 -0.9620 0.9380 C.ar 1 UNL111111111 0.0880 14 C 1.1642 2.4244 0.5818 C.3 1 UNL111111111 0.1430 15 C -2.0932 -1.0915 -0.8678 C.ar 1 UNL111111111 0.0141 16 C -3.9099 1.5153 -0.4647 C.3 1 UNL111111111 -0.0959 17 C 0.2624 2.5168 -0.6079 C.2 1 UNL111111111 -0.2117 18 C -3.1488 -0.4701 -1.7419 C.3 1 UNL111111111 -0.0995 19 C -0.1418 -2.2990 0.7915 C.ar 1 UNL111111111 0.1303 20 C -1.7646 -2.4488 -1.0030 C.ar 1 UNL111111111 -0.1699 21 C -0.7993 -3.0446 -0.1995 C.ar 1 UNL111111111 -0.1844 22 C 3.0113 1.2814 -0.4115 C.2 1 UNL111111111 0.6337 23 C 3.4962 -0.1160 -0.6479 C.3 1 UNL111111111 -0.4299 24 C 1.4137 -2.2808 2.5636 C.3 1 UNL111111111 -0.1996 25 C 2.6757 -0.7362 -1.8068 C.3 1 UNL111111111 0.2139 26 C 2.5411 -2.2457 -1.6357 C.3 1 UNL111111111 -0.5087 27 H -1.3439 1.1551 2.6745 H 1 UNL111111111 0.1361 28 H -2.9825 2.5286 1.2140 H 1 UNL111111111 0.1377 29 H -3.3937 0.8195 1.5141 H 1 UNL111111111 0.1679 30 H 1.1060 1.9373 2.6919 H 1 UNL111111111 0.1739 31 H -0.0654 3.1795 2.1927 H 1 UNL111111111 0.1599 32 H -1.5493 1.9845 -1.5505 H 1 UNL111111111 0.1530 33 H 1.8568 3.2959 0.6555 H 1 UNL111111111 0.1472 34 H -4.8724 1.9911 -0.1655 H 1 UNL111111111 0.1295 35 H -3.4911 2.1445 -1.2790 H 1 UNL111111111 0.1165 36 H 0.6717 3.0646 -1.4567 H 1 UNL111111111 0.1693 37 H -2.6705 0.2617 -2.4344 H 1 UNL111111111 0.1307 38 H -3.6195 -1.2476 -2.3873 H 1 UNL111111111 0.1398 39 H -5.1045 0.0896 -1.3677 H 1 UNL111111111 0.2538 40 H -2.2779 -3.0520 -1.7499 H 1 UNL111111111 0.1586 41 H -0.5462 -4.0966 -0.3200 H 1 UNL111111111 0.1710 42 H 3.3914 -0.7241 0.2742 H 1 UNL111111111 0.1820 43 H 4.5746 -0.1110 -0.8987 H 1 UNL111111111 0.1817 44 H 1.9630 -1.4072 2.1949 H 1 UNL111111111 0.1421 45 H 2.0984 -3.0300 2.9782 H 1 UNL111111111 0.1441 46 H 0.6666 -1.9815 3.3062 H 1 UNL111111111 0.1430 47 H 3.1167 -0.4645 -2.7952 H 1 UNL111111111 0.1438 48 H 2.0425 -2.5081 -0.6916 H 1 UNL111111111 0.1693 49 H 3.5102 -2.7503 -1.6563 H 1 UNL111111111 0.1509 50 H 1.9200 -2.6651 -2.4389 H 1 UNL111111111 0.1660 51 H 0.9343 -0.1620 -1.0204 H 1 UNL111111111 0.3411 @BOND 1 47 25 1 2 50 26 1 3 37 18 1 4 38 18 1 5 5 25 1 6 5 51 1 7 25 26 1 8 25 23 1 9 40 20 1 10 18 6 1 11 18 15 1 12 49 26 1 13 26 48 1 14 32 12 1 15 36 17 1 16 39 6 1 17 35 16 1 18 20 15 ar 19 20 21 ar 20 43 23 1 21 6 16 1 22 15 9 ar 23 4 22 2 24 12 17 2 25 12 7 1 26 23 22 1 27 23 42 1 28 17 14 1 29 16 34 1 30 16 10 1 31 22 2 1 32 41 21 1 33 21 19 ar 34 9 7 1 35 9 13 ar 36 2 14 1 37 7 10 1 38 7 8 1 39 14 33 1 40 14 11 1 41 10 28 1 42 10 29 1 43 19 13 ar 44 19 3 1 45 13 1 1 46 3 24 1 47 8 11 1 48 8 1 1 49 8 27 1 50 11 31 1 51 11 30 1 52 44 24 1 53 24 45 1 54 24 46 1