@MOLECULE 8h-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizin-8-one, 5,6,13,13a-tetrahydro-9,10-dimethoxy-, (s)- 45 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6288 0.0003 -0.4567 C.3 1 UNL1 0.1160 2 C 2.8626 1.0846 -0.6274 C.ar 1 UNL1 -0.1961 3 C 4.1290 -1.1956 0.5799 C.ar 1 UNL1 -0.2181 4 C -2.1475 2.1794 0.6899 C.ar 1 UNL1 -0.1531 5 C -3.5315 2.2253 0.4827 C.ar 1 UNL1 -0.2384 6 C -4.8054 -2.0056 0.0855 C.3 1 UNL1 -0.1940 7 C -6.3073 2.1604 -0.0267 C.3 1 UNL1 -0.2162 8 C -3.4813 -0.1099 -0.2023 C.ar 1 UNL1 0.1883 9 C -4.1975 1.0927 0.0364 C.ar 1 UNL1 0.1416 10 O -1.8306 -2.5194 0.2048 O.2 1 UNL1 -0.5279 11 C 0.0326 0.9100 0.6551 C.3 1 UNL1 -0.3146 12 C 0.8143 -2.5106 -0.4255 C.3 1 UNL1 -0.0496 13 C 1.9194 -2.3746 0.6384 C.3 1 UNL1 -0.3098 14 C 6.3980 1.4780 -0.1739 C.3 1 UNL1 0.1576 15 O -4.0993 -1.1559 -0.8202 O.3 1 UNL1 -0.3092 16 O -5.5297 0.9843 -0.2081 O.3 1 UNL1 -0.2718 17 C -1.3587 -1.4266 -0.0390 C.2 1 UNL1 0.6073 18 C -2.1218 -0.1578 0.0639 C.ar 1 UNL1 -0.1786 19 C 2.1240 -0.0575 -0.2482 C.ar 1 UNL1 -0.0755 20 C -1.4456 1.0035 0.4768 C.ar 1 UNL1 0.0025 21 C 2.7425 -1.1695 0.3205 C.ar 1 UNL1 0.0206 22 C 4.2094 1.0473 -0.3748 C.ar 1 UNL1 0.1176 23 C 4.8324 -0.0727 0.2264 C.ar 1 UNL1 0.1382 24 O 5.1412 2.0216 -0.6362 O.3 1 UNL1 -0.3392 25 O 6.1771 0.1562 0.3695 O.3 1 UNL1 -0.3383 26 N -0.0342 -1.3169 -0.4477 N.am 1 UNL1 -0.5135 27 H 0.4073 0.4570 -1.4652 H 1 UNL1 0.1608 28 H 0.2741 0.4938 1.6565 H 1 UNL1 0.1711 29 H 0.5178 1.9045 0.6242 H 1 UNL1 0.1647 30 H 2.3882 1.9426 -1.0944 H 1 UNL1 0.1779 31 H 1.2651 -2.6374 -1.4374 H 1 UNL1 0.1466 32 H 0.1904 -3.4160 -0.2319 H 1 UNL1 0.1712 33 H 4.6067 -2.0587 1.0314 H 1 UNL1 0.1785 34 H 1.4711 -2.2792 1.6503 H 1 UNL1 0.1684 35 H 2.5292 -3.2979 0.6688 H 1 UNL1 0.1570 36 H -1.6284 3.0779 1.0187 H 1 UNL1 0.1583 37 H 7.0599 1.3757 -1.0448 H 1 UNL1 0.1424 38 H 6.7612 2.1185 0.6414 H 1 UNL1 0.1413 39 H -4.0641 3.1537 0.6673 H 1 UNL1 0.1612 40 H -5.2224 -2.7631 -0.5894 H 1 UNL1 0.1506 41 H -4.1052 -2.4691 0.7921 H 1 UNL1 0.1543 42 H -5.5962 -1.4526 0.5980 H 1 UNL1 0.1269 43 H -5.9810 2.9576 -0.7011 H 1 UNL1 0.1352 44 H -7.3119 1.8135 -0.3062 H 1 UNL1 0.1551 45 H -6.2916 2.4857 1.0174 H 1 UNL1 0.1327 @BOND 1 27 1 1 2 31 12 1 3 30 2 1 4 37 14 1 5 15 8 1 6 15 6 1 7 43 7 1 8 24 22 1 9 24 14 1 10 2 22 ar 11 2 19 ar 12 40 6 1 13 1 26 1 14 1 19 1 15 1 11 1 16 26 12 1 17 26 17 am 18 12 32 1 19 12 13 1 20 22 23 ar 21 44 7 1 22 19 21 ar 23 16 7 1 24 16 9 1 25 8 9 ar 26 8 18 ar 27 14 25 1 28 14 38 1 29 17 18 1 30 17 10 2 31 7 45 1 32 9 5 ar 33 18 20 ar 34 6 42 1 35 6 41 1 36 23 25 1 37 23 3 ar 38 21 3 ar 39 21 13 1 40 20 11 1 41 20 4 ar 42 5 39 1 43 5 4 ar 44 3 33 1 45 29 11 1 46 13 35 1 47 13 34 1 48 11 28 1 49 4 36 1