@MOLECULE (7as,8s)-7-acetyl-6,7,7a,8-tetrahydro-5h-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-yl acetate 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3436 -1.3901 0.2267 O.3 1 UNL1111111111 -0.4168 2 O 4.0489 -0.4654 0.0116 O.3 1 UNL1111111111 -0.3325 3 O 4.5621 1.8181 0.2861 O.3 1 UNL1111111111 -0.3418 4 O -2.9573 0.7745 -1.9983 O.2 1 UNL1111111111 -0.5391 5 O -3.2911 -0.3301 1.9794 O.2 1 UNL1111111111 -0.5222 6 N -1.8382 1.3959 -0.1411 N.am 1 UNL1111111111 -0.5001 7 C -0.8158 0.3723 -0.3843 C.3 1 UNL1111111111 0.0521 8 C 0.5990 0.8447 -0.1373 C.ar 1 UNL1111111111 -0.0864 9 C -1.0571 -0.8667 0.5352 C.3 1 UNL1111111111 0.0959 10 C 0.9057 2.1796 0.0981 C.ar 1 UNL1111111111 0.0290 11 C 1.6011 -0.1639 -0.1492 C.ar 1 UNL1111111111 -0.0451 12 C -1.4483 2.4440 0.8017 C.3 1 UNL1111111111 -0.0570 13 C -0.1994 3.1739 0.2653 C.3 1 UNL1111111111 -0.3090 14 C -0.0767 -1.9424 0.1541 C.ar 1 UNL1111111111 -0.0388 15 C 1.2261 -1.5714 -0.2213 C.ar 1 UNL1111111111 -0.0145 16 C 2.8968 0.2805 -0.0106 C.ar 1 UNL1111111111 0.1127 17 C 2.2403 2.6204 0.2369 C.ar 1 UNL1111111111 -0.2232 18 C 3.2061 1.6515 0.1650 C.ar 1 UNL1111111111 0.1506 19 C -2.8408 1.5708 -1.0877 C.2 1 UNL1111111111 0.6005 20 C -0.4522 -3.2808 0.1578 C.ar 1 UNL1111111111 -0.1273 21 C 2.1290 -2.5564 -0.6246 C.ar 1 UNL1111111111 -0.1240 22 C 0.4609 -4.2599 -0.2350 C.ar 1 UNL1111111111 -0.1401 23 C 5.1197 0.4885 0.1919 C.3 1 UNL1111111111 0.1581 24 C 1.7449 -3.8967 -0.6318 C.ar 1 UNL1111111111 -0.1514 25 C -3.8177 2.6985 -0.9007 C.3 1 UNL1111111111 -0.5281 26 C -3.4042 -0.9618 0.9618 C.2 1 UNL1111111111 0.6429 27 C -4.6561 -1.4236 0.2987 C.3 1 UNL1111111111 -0.5160 28 H -0.9020 0.0271 -1.4636 H 1 UNL1111111111 0.2033 29 H -0.9949 -0.5982 1.6138 H 1 UNL1111111111 0.1681 30 H -2.2789 3.1526 0.9880 H 1 UNL1111111111 0.1399 31 H -1.2268 1.9652 1.7883 H 1 UNL1111111111 0.1635 32 H 0.0894 3.9882 0.9574 H 1 UNL1111111111 0.1568 33 H -0.4225 3.6644 -0.7049 H 1 UNL1111111111 0.1635 34 H 2.4783 3.6648 0.4007 H 1 UNL1111111111 0.1748 35 H -1.4615 -3.5642 0.4554 H 1 UNL1111111111 0.1634 36 H 3.1355 -2.2823 -0.9410 H 1 UNL1111111111 0.1650 37 H 0.1653 -5.3066 -0.2356 H 1 UNL1111111111 0.1467 38 H 5.7546 0.4536 -0.7040 H 1 UNL1111111111 0.1410 39 H 5.6126 0.2626 1.1475 H 1 UNL1111111111 0.1415 40 H 2.4538 -4.6588 -0.9479 H 1 UNL1111111111 0.1467 41 H -3.3418 3.6801 -1.0142 H 1 UNL1111111111 0.1704 42 H -4.3112 2.6584 0.0800 H 1 UNL1111111111 0.1771 43 H -4.6102 2.6328 -1.6652 H 1 UNL1111111111 0.1853 44 H -4.6850 -2.5187 0.1976 H 1 UNL1111111111 0.1847 45 H -5.5447 -1.1016 0.8585 H 1 UNL1111111111 0.1775 46 H -4.7223 -1.0127 -0.7274 H 1 UNL1111111111 0.2021 @BOND 1 1 9 1 2 1 26 1 3 2 16 1 4 2 23 1 5 3 18 1 6 3 23 1 7 4 19 2 8 5 26 2 9 6 7 1 10 6 12 1 11 6 19 am 12 7 8 1 13 7 9 1 14 7 28 1 15 8 10 ar 16 8 11 ar 17 9 14 1 18 9 29 1 19 10 13 1 20 10 17 ar 21 11 15 1 22 11 16 ar 23 12 13 1 24 12 30 1 25 12 31 1 26 13 32 1 27 13 33 1 28 14 15 ar 29 14 20 ar 30 15 21 ar 31 16 18 ar 32 17 18 ar 33 17 34 1 34 19 25 1 35 20 22 ar 36 20 35 1 37 21 24 ar 38 21 36 1 39 22 24 ar 40 22 37 1 41 23 38 1 42 23 39 1 43 24 40 1 44 25 41 1 45 25 42 1 46 25 43 1 47 26 27 1 48 27 44 1 49 27 45 1 50 27 46 1