@MOLECULE (4s)-4-ethyl-4-hydroxy-9-methoxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione 46 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.3093 -0.6480 0.5477 O.3 1 UNL1 -0.3972 2 O -3.3018 2.3263 0.7819 O.3 1 UNL1 -0.4980 3 O -2.2114 -3.4040 -0.2210 O.2 1 UNL1 -0.5118 4 O -5.8615 1.3577 1.1738 O.2 1 UNL1 -0.4164 5 O 7.3165 0.2760 0.0488 O.3 1 UNL1 -0.3000 6 N -0.6849 -1.7503 -0.1082 N.ar 1 UNL1 -0.4122 7 N 1.8343 0.7776 0.0377 N.ar 1 UNL1 -0.2929 8 C -3.7360 1.2256 0.0212 C.3 1 UNL1 0.1789 9 C -2.6647 0.1647 -0.0072 C.ar 1 UNL1 0.0468 10 C -0.3496 -0.4031 -0.0235 C.ar 1 UNL1 0.2186 11 C -3.0151 -1.1505 -0.0926 C.ar 1 UNL1 -0.2570 12 C 0.5138 -2.6314 -0.1314 C.3 1 UNL1 -0.0658 13 C -1.3052 0.5701 0.0332 C.ar 1 UNL1 -0.2746 14 C 1.6614 -1.6617 -0.0704 C.ar 1 UNL1 -0.0869 15 C 1.1195 -0.3166 -0.0118 C.ar 1 UNL1 0.0982 16 C -2.0178 -2.2105 -0.1461 C.ar 1 UNL1 0.5875 17 C -3.9684 1.7887 -1.3930 C.3 1 UNL1 -0.2554 18 C -4.4452 -1.5528 -0.1282 C.3 1 UNL1 -0.0008 19 C -5.0401 0.6831 0.6153 C.2 1 UNL1 0.5299 20 C 3.0105 -1.8288 -0.0640 C.ar 1 UNL1 -0.1226 21 C 3.8347 -0.6538 -0.0099 C.ar 1 UNL1 0.0184 22 C -5.0210 2.8920 -1.3914 C.3 1 UNL1 -0.4380 23 C 3.2050 0.6216 0.0353 C.ar 1 UNL1 0.0563 24 C 5.2420 -0.7110 -0.0013 C.ar 1 UNL1 -0.2826 25 C 3.9830 1.8120 0.0769 C.ar 1 UNL1 -0.0584 26 C 5.9736 0.4670 0.0440 C.ar 1 UNL1 0.2632 27 C 5.3508 1.7402 0.0808 C.ar 1 UNL1 -0.2695 28 C 8.1441 1.4320 0.1099 C.3 1 UNL1 -0.2042 29 H 0.5093 -3.2539 -1.0579 H 1 UNL1 0.1805 30 H 0.4836 -3.3346 0.7321 H 1 UNL1 0.1813 31 H -1.0418 1.6267 0.1009 H 1 UNL1 0.2111 32 H -4.2500 0.9745 -2.0856 H 1 UNL1 0.1477 33 H -3.0054 2.2001 -1.7660 H 1 UNL1 0.1649 34 H -4.8340 -1.6590 -1.1611 H 1 UNL1 0.1491 35 H -4.6377 -2.5067 0.4194 H 1 UNL1 0.1795 36 H 3.4847 -2.8083 -0.1019 H 1 UNL1 0.1758 37 H -6.0204 2.5126 -1.1357 H 1 UNL1 0.1561 38 H -4.7808 3.6660 -0.6456 H 1 UNL1 0.1700 39 H -5.0876 3.3820 -2.3672 H 1 UNL1 0.1417 40 H -3.2190 2.0902 1.7333 H 1 UNL1 0.3220 41 H 5.7549 -1.6698 -0.0338 H 1 UNL1 0.1830 42 H 3.4555 2.7705 0.1033 H 1 UNL1 0.1806 43 H 5.9488 2.6477 0.1113 H 1 UNL1 0.1714 44 H 7.9584 2.0034 1.0252 H 1 UNL1 0.1377 45 H 8.0235 2.0483 -0.7864 H 1 UNL1 0.1373 46 H 9.1501 0.9904 0.1357 H 1 UNL1 0.1567 @BOND 1 39 22 1 2 32 17 1 3 33 17 1 4 17 22 1 5 17 8 1 6 22 37 1 7 22 38 1 8 34 18 1 9 29 12 1 10 45 28 1 11 3 16 2 12 16 6 ar 13 16 11 ar 14 12 6 1 15 12 14 1 16 12 30 1 17 18 11 1 18 18 35 1 19 18 1 1 20 6 10 ar 21 36 20 1 22 11 9 ar 23 14 20 ar 24 14 15 ar 25 20 21 ar 26 41 24 1 27 10 15 1 28 10 13 ar 29 15 7 ar 30 21 24 ar 31 21 23 ar 32 9 8 1 33 9 13 ar 34 24 26 ar 35 8 19 1 36 8 2 1 37 13 31 1 38 23 7 ar 39 23 25 ar 40 26 5 1 41 26 27 ar 42 5 28 1 43 25 27 ar 44 25 42 1 45 27 43 1 46 28 46 1 47 28 44 1 48 1 19 1 49 19 4 2 50 2 40 1