@MOLECULE (5alpha,6alpha,10alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6,10-triol 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2103 -0.5499 0.9642 O.3 1 UNL111111111 -0.3364 2 O 1.9212 1.4707 -2.1293 O.3 1 UNL111111111 -0.5496 3 O -2.9906 -2.4854 -0.6119 O.3 1 UNL111111111 -0.5316 4 O -3.5705 2.0803 0.6042 O.3 1 UNL111111111 -0.4429 5 N 3.0421 -0.5964 0.6577 N.3 1 UNL111111111 -0.4262 6 C 0.1767 -0.9044 0.6611 C.3 1 UNL111111111 0.0066 7 C 1.0685 -1.3375 -0.5201 C.3 1 UNL111111111 -0.1397 8 C 2.2613 -0.3362 -0.5718 C.3 1 UNL111111111 -0.0026 9 C -1.2129 -1.6019 0.7782 C.3 1 UNL111111111 0.0355 10 C 0.9777 -1.0284 1.9610 C.3 1 UNL111111111 -0.2903 11 C -0.2515 0.5040 0.3721 C.ar 1 UNL111111111 -0.0631 12 C 1.8479 1.1685 -0.7501 C.3 1 UNL111111111 0.1089 13 C 2.2930 -0.2275 1.8834 C.3 1 UNL111111111 -0.1054 14 C 0.4820 1.5031 -0.2331 C.ar 1 UNL111111111 -0.1102 15 C -1.5917 -2.3997 -0.4927 C.3 1 UNL111111111 0.1129 16 C 0.2671 -1.3912 -1.7792 C.2 1 UNL111111111 -0.1674 17 C -1.6185 0.6354 0.6063 C.ar 1 UNL111111111 0.0466 18 C -0.9853 -1.8557 -1.7522 C.2 1 UNL111111111 -0.2091 19 C -0.1491 2.7338 -0.4543 C.ar 1 UNL111111111 -0.1232 20 C 4.3692 0.0492 0.6339 C.3 1 UNL111111111 -0.2743 21 C -2.2510 1.8539 0.3912 C.ar 1 UNL111111111 0.2101 22 C -1.4904 2.9169 -0.1225 C.ar 1 UNL111111111 -0.1995 23 H 1.4959 -2.3562 -0.3181 H 1 UNL111111111 0.1769 24 H 2.9080 -0.6001 -1.4509 H 1 UNL111111111 0.1608 25 H -1.3344 -2.2102 1.6937 H 1 UNL111111111 0.1560 26 H 1.2073 -2.0947 2.1551 H 1 UNL111111111 0.1559 27 H 0.3817 -0.6684 2.8209 H 1 UNL111111111 0.1514 28 H 2.6316 1.8372 -0.3216 H 1 UNL111111111 0.1519 29 H 2.0738 0.8608 1.9426 H 1 UNL111111111 0.1241 30 H 2.9290 -0.4798 2.7604 H 1 UNL111111111 0.1402 31 H -1.2955 -3.4749 -0.3649 H 1 UNL111111111 0.1590 32 H 0.7521 -1.0438 -2.6859 H 1 UNL111111111 0.1536 33 H -1.6275 -1.9041 -2.6283 H 1 UNL111111111 0.1704 34 H 0.4137 3.5472 -0.9137 H 1 UNL111111111 0.1694 35 H 4.9686 -0.3545 1.4681 H 1 UNL111111111 0.1472 36 H 4.3531 1.1463 0.7175 H 1 UNL111111111 0.1220 37 H 4.8919 -0.2191 -0.2996 H 1 UNL111111111 0.1498 38 H 1.1149 1.1655 -2.5954 H 1 UNL111111111 0.3211 39 H -1.9793 3.8768 -0.2872 H 1 UNL111111111 0.1804 40 H -3.3940 -1.5905 -0.5471 H 1 UNL111111111 0.3275 41 H -3.9955 1.3005 1.0474 H 1 UNL111111111 0.3333 @BOND 1 1 9 1 2 1 17 1 3 2 12 1 4 2 38 1 5 3 15 1 6 3 40 1 7 4 21 1 8 4 41 1 9 5 8 1 10 5 13 1 11 5 20 1 12 6 7 1 13 6 9 1 14 6 10 1 15 6 11 1 16 7 8 1 17 7 16 1 18 7 23 1 19 8 12 1 20 8 24 1 21 9 15 1 22 9 25 1 23 10 13 1 24 10 26 1 25 10 27 1 26 11 14 ar 27 11 17 ar 28 12 14 1 29 12 28 1 30 13 29 1 31 13 30 1 32 14 19 ar 33 15 18 1 34 15 31 1 35 16 18 2 36 16 32 1 37 17 21 ar 38 18 33 1 39 19 22 ar 40 19 34 1 41 20 35 1 42 20 36 1 43 20 37 1 44 21 22 ar 45 22 39 1