@MOLECULE (3z)-3-ethylidene-2-(3-hydroxy-1-methoxy-1-oxo-2-propanyl)-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium 28 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.5422 0.4038 0.9534 O.2 1 UNL1 -0.3250 2 O 4.5465 2.2487 -1.3069 O.2 1 UNL1 -0.5004 3 O 2.7220 3.0203 0.5908 O.2 1 UNL1 -0.1356 4 N -0.3694 -1.8948 -0.0881 N.ar 1 UNL1 -0.3338 5 N -2.0485 1.4258 0.2438 N.ar 1 UNL1 -0.2583 6 C -0.4563 -0.4580 0.1092 C.ar 1 UNL1 -0.0284 7 C 0.7255 0.1329 0.2931 C.ar 1 UNL1 -0.0029 8 C 0.8510 -2.5024 -0.0795 C.ar 1 UNL1 0.1137 9 C -3.8018 -2.9860 -0.4931 C.3 1 UNL1 0.6225 10 C 2.0315 -0.3578 0.3300 C.ar 1 UNL1 0.0625 11 C -1.7577 0.1395 0.0894 C.ar 1 UNL1 0.1163 12 C 2.0687 -1.7332 0.1250 C.ar 1 UNL1 -0.0508 13 C -2.8135 -2.1021 -0.3006 C.ar 1 UNL1 -0.7212 14 C -1.4653 -2.7111 -0.2855 C.ar 1 UNL1 0.3628 15 C -2.9475 -0.7128 -0.1186 C.ar 1 UNL1 0.0651 16 C 3.1262 0.5562 0.5539 C.2 1 UNL1 -0.4170 17 C -4.0588 0.1741 -0.0805 C.ar 1 UNL1 -0.1606 18 C -3.4532 1.5306 0.1547 C.ar 1 UNL1 0.1050 19 C 3.2445 -2.5535 0.0852 C.2 1 UNL1 -0.6494 20 C 4.4385 0.0815 0.7496 C.2 1 UNL1 0.3055 21 C 2.8957 1.8860 0.5585 C.1 1 UNL1 0.5943 22 C -5.4161 0.2071 -0.1792 C.ar 1 UNL1 0.0185 23 C -4.3744 2.5233 0.2253 C.ar 1 UNL1 0.0256 24 C 3.2014 -3.8640 -0.0914 C.2 1 UNL1 0.4629 25 C -6.2344 1.2386 -0.0967 C.ar 1 UNL1 -0.0217 26 C -5.6846 2.4540 0.1176 C.ar 1 UNL1 0.0196 27 C 5.2813 2.2213 -2.1819 C.2 1 UNL1 0.5028 28 H 4.2215 -2.0720 0.2143 H 1 UNL1 0.2281 @BOND 1 27 2 2 2 9 13 1 3 13 14 ar 4 13 15 ar 5 14 4 ar 6 22 25 ar 7 22 17 ar 8 15 17 ar 9 15 11 ar 10 25 26 ar 11 24 19 2 12 4 8 ar 13 4 6 ar 14 17 18 ar 15 8 12 ar 16 19 12 1 17 19 28 1 18 11 6 ar 19 11 5 ar 20 6 7 ar 21 26 23 ar 22 12 10 ar 23 18 23 ar 24 18 5 ar 25 7 10 ar 26 10 16 1 27 16 21 2 28 16 20 1 29 21 3 2 30 20 1 2