@MOLECULE (4s)-4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione 51 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.6568 -1.0638 0.4194 O.3 1 UNL1 -0.3922 2 O -4.0657 2.1438 0.6674 O.3 1 UNL1 -0.5054 3 O -2.1517 -3.4053 0.0750 O.2 1 UNL1 -0.5129 4 O -6.5026 0.8772 0.9055 O.2 1 UNL1 -0.4241 5 O 6.7465 1.7022 0.2406 O.3 1 UNL1 -0.4670 6 N -0.8689 -1.5503 0.1105 N.ar 1 UNL1 -0.4134 7 N 1.2597 1.3237 0.1209 N.ar 1 UNL1 -0.3046 8 N 5.8933 -1.5136 -0.8962 N.3 1 UNL1 -0.5134 9 C -4.2994 0.9771 -0.0844 C.3 1 UNL1 0.1806 10 C -3.0984 0.0702 0.0187 C.ar 1 UNL1 0.0519 11 C -0.7282 -0.1663 0.1162 C.ar 1 UNL1 0.2108 12 C 0.4446 -2.2493 0.1529 C.3 1 UNL1 -0.0599 13 C -3.2615 -1.2829 -0.0012 C.ar 1 UNL1 -0.2604 14 C 1.4383 -1.1168 0.1720 C.ar 1 UNL1 -0.1006 15 C 0.7131 0.1368 0.1446 C.ar 1 UNL1 0.1127 16 C -1.8109 0.6627 0.0902 C.ar 1 UNL1 -0.2692 17 C -2.1257 -2.1921 0.0655 C.ar 1 UNL1 0.5872 18 C -4.4665 1.4489 -1.5416 C.3 1 UNL1 -0.2570 19 C -4.6189 -1.8770 -0.1173 C.3 1 UNL1 0.0002 20 C -5.5672 0.2903 0.4318 C.2 1 UNL1 0.5305 21 C 2.7967 -1.0816 0.2010 C.ar 1 UNL1 -0.0984 22 C 3.4435 0.2001 0.2160 C.ar 1 UNL1 0.0015 23 C 2.6401 1.3732 0.1506 C.ar 1 UNL1 0.0697 24 C -5.7300 2.2796 -1.7227 C.3 1 UNL1 -0.4403 25 C 4.8519 0.3454 0.2870 C.ar 1 UNL1 -0.1334 26 C 3.2349 2.6670 0.1047 C.ar 1 UNL1 -0.0586 27 C 5.7622 -0.8386 0.4220 C.3 1 UNL1 -0.1046 28 C 5.3907 1.6196 0.2187 C.ar 1 UNL1 0.2642 29 C 4.5983 2.7903 0.1293 C.ar 1 UNL1 -0.2711 30 C 7.0824 -2.3894 -0.9241 C.3 1 UNL1 -0.2756 31 H 0.5482 -2.9145 -0.7353 H 1 UNL1 0.1804 32 H 0.4973 -2.8975 1.0581 H 1 UNL1 0.1795 33 H -1.6996 1.7481 0.1137 H 1 UNL1 0.2118 34 H -4.4661 0.5788 -2.2251 H 1 UNL1 0.1484 35 H -3.5757 2.0588 -1.8108 H 1 UNL1 0.1673 36 H -4.8939 -2.0853 -1.1724 H 1 UNL1 0.1494 37 H -4.7324 -2.8133 0.4772 H 1 UNL1 0.1798 38 H 3.4165 -1.9832 0.1834 H 1 UNL1 0.1956 39 H -6.6407 1.6747 -1.6314 H 1 UNL1 0.1529 40 H -5.7949 3.0674 -0.9559 H 1 UNL1 0.1705 41 H -5.7532 2.7691 -2.7019 H 1 UNL1 0.1436 42 H -4.2391 1.9980 1.6256 H 1 UNL1 0.3267 43 H 2.5788 3.5407 0.0466 H 1 UNL1 0.1827 44 H 6.7454 -0.5257 0.8478 H 1 UNL1 0.1436 45 H 5.3460 -1.5843 1.1399 H 1 UNL1 0.1506 46 H 5.0775 3.7654 0.0840 H 1 UNL1 0.1699 47 H 5.9480 -0.8192 -1.6422 H 1 UNL1 0.2562 48 H 7.0638 2.6392 0.2390 H 1 UNL1 0.3327 49 H 6.9809 -3.1688 -0.1503 H 1 UNL1 0.1454 50 H 8.0386 -1.8675 -0.7686 H 1 UNL1 0.1191 51 H 7.1176 -2.8990 -1.9017 H 1 UNL1 0.1467 @BOND 1 41 24 1 2 34 18 1 3 51 30 1 4 35 18 1 5 24 39 1 6 24 18 1 7 24 40 1 8 47 8 1 9 18 9 1 10 36 19 1 11 30 8 1 12 30 50 1 13 30 49 1 14 8 27 1 15 31 12 1 16 19 13 1 17 19 1 1 18 19 37 1 19 9 10 1 20 9 20 1 21 9 2 1 22 13 10 ar 23 13 17 ar 24 10 16 ar 25 43 26 1 26 17 3 2 27 17 6 ar 28 46 29 1 29 16 33 1 30 16 11 ar 31 26 29 ar 32 26 23 ar 33 6 11 ar 34 6 12 1 35 11 15 1 36 7 15 ar 37 7 23 ar 38 29 28 ar 39 15 14 ar 40 23 22 ar 41 12 14 1 42 12 32 1 43 14 21 ar 44 38 21 1 45 21 22 ar 46 22 25 ar 47 28 5 1 48 28 25 ar 49 48 5 1 50 25 27 1 51 1 20 1 52 27 44 1 53 27 45 1 54 20 4 2 55 2 42 1