@MOLECULE oxilorphan 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3338 -2.2200 -0.2998 O.3 1 UNL1111111111 -0.2694 2 O 4.8989 1.6045 -0.5080 O.3 1 UNL1111111111 -0.3773 3 N -1.9150 0.4583 -0.6787 N.3 1 UNL1111111111 0.0715 4 C 0.6607 -0.9036 -0.7177 C.3 1 UNL1111111111 0.1267 5 C -0.4739 -1.2648 0.2834 C.3 1 UNL1111111111 -0.2296 6 C -1.2912 0.0246 0.5918 C.3 1 UNL1111111111 -0.3826 7 C 0.0050 -0.3639 -2.0084 C.3 1 UNL1111111111 -0.7217 8 C 1.4358 -2.1952 -1.0365 C.3 1 UNL1111111111 -0.5476 9 C 0.0556 -1.9397 1.5577 C.3 1 UNL1111111111 -0.3174 10 C 1.5274 0.1972 -0.1514 C.ar 1 UNL1111111111 0.6653 11 C -0.9151 0.8330 -1.7100 C.3 1 UNL1111111111 -0.2232 12 C -0.3909 1.0580 1.2928 C.3 1 UNL1111111111 -0.4680 13 C -2.9043 1.5518 -0.5055 C.3 1 UNL1111111111 -0.7998 14 C 2.0159 -2.8165 0.2397 C.3 1 UNL1111111111 -0.2729 15 C 0.8778 -3.1831 1.2002 C.3 1 UNL1111111111 -0.5020 16 C -3.9979 1.1519 0.4683 C.3 1 UNL1111111111 -0.0393 17 C 1.0125 1.1169 0.7720 C.ar 1 UNL1111111111 0.0328 18 C -4.8494 -0.0652 0.1700 C.3 1 UNL1111111111 -0.4448 19 C -5.4466 1.3133 0.0511 C.3 1 UNL1111111111 -0.5234 20 C 2.8423 0.3466 -0.6021 C.ar 1 UNL1111111111 -0.8274 21 C 1.8184 2.1549 1.2575 C.ar 1 UNL1111111111 -0.2973 22 C 3.6158 1.3941 -0.1083 C.ar 1 UNL1111111111 0.2430 23 C 3.1276 2.3093 0.8281 C.ar 1 UNL1111111111 -0.3160 24 H -2.1307 -0.2603 1.2812 H 1 UNL1111111111 0.2962 25 H -0.5762 -1.1731 -2.4928 H 1 UNL1111111111 0.2834 26 H 0.7822 -0.0625 -2.7334 H 1 UNL1111111111 0.2447 27 H 2.2298 -2.0098 -1.7784 H 1 UNL1111111111 0.1755 28 H 0.7373 -2.9193 -1.5089 H 1 UNL1111111111 0.2751 29 H -0.7967 -2.2249 2.2026 H 1 UNL1111111111 0.2266 30 H 0.6763 -1.2285 2.1328 H 1 UNL1111111111 0.2052 31 H -0.3069 1.7150 -1.4117 H 1 UNL1111111111 0.1443 32 H -1.4645 1.1122 -2.6359 H 1 UNL1111111111 0.1660 33 H -0.3639 0.8297 2.3811 H 1 UNL1111111111 0.2356 34 H -0.8621 2.0610 1.2195 H 1 UNL1111111111 0.2227 35 H -2.4362 2.5056 -0.1737 H 1 UNL1111111111 0.2756 36 H -3.3452 1.7510 -1.5109 H 1 UNL1111111111 0.3146 37 H 2.7134 -2.1091 0.7267 H 1 UNL1111111111 0.1819 38 H 2.6089 -3.7142 -0.0099 H 1 UNL1111111111 0.1702 39 H 0.2154 -3.9368 0.7281 H 1 UNL1111111111 0.2738 40 H 1.2806 -3.6489 2.1163 H 1 UNL1111111111 0.2100 41 H -3.7385 1.3575 1.5113 H 1 UNL1111111111 0.2184 42 H -5.1510 -0.7237 0.9780 H 1 UNL1111111111 0.2264 43 H -4.6415 -0.6450 -0.7273 H 1 UNL1111111111 0.2429 44 H -5.6889 1.7122 -0.9291 H 1 UNL1111111111 0.2245 45 H -6.1781 1.6508 0.7793 H 1 UNL1111111111 0.2212 46 H -1.9844 -1.7695 -0.8906 H 1 UNL1111111111 0.2657 47 H 3.2567 -0.3428 -1.3306 H 1 UNL1111111111 0.3287 48 H 1.4089 2.8569 1.9843 H 1 UNL1111111111 0.2157 49 H 3.7633 3.1100 1.1931 H 1 UNL1111111111 0.2468 50 H 5.1996 0.9298 -1.1613 H 1 UNL1111111111 0.3287 @BOND 1 1 5 1 2 1 46 1 3 2 22 1 4 2 50 1 5 3 6 1 6 3 11 1 7 3 13 1 8 4 5 1 9 4 7 1 10 4 8 1 11 4 10 1 12 5 6 1 13 5 9 1 14 6 12 1 15 6 24 1 16 7 11 1 17 7 25 1 18 7 26 1 19 8 14 1 20 8 27 1 21 8 28 1 22 9 15 1 23 9 29 1 24 9 30 1 25 10 17 ar 26 10 20 ar 27 11 31 1 28 11 32 1 29 12 17 1 30 12 33 1 31 12 34 1 32 13 16 1 33 13 35 1 34 13 36 1 35 14 15 1 36 14 37 1 37 14 38 1 38 15 39 1 39 15 40 1 40 16 18 1 41 16 19 1 42 16 41 1 43 17 21 ar 44 18 19 1 45 18 42 1 46 18 43 1 47 19 44 1 48 19 45 1 49 20 22 ar 50 20 47 1 51 21 23 ar 52 21 48 1 53 22 23 ar 54 23 49 1