@MOLECULE (7s)-7-ethyl-7-hydroxy-10h-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7h,13h)-dione 45 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.5397 -0.4913 0.5511 O.3 1 UNL1 -0.3978 2 O -3.3783 2.3795 0.7656 O.3 1 UNL1 -0.4961 3 O -2.5863 -3.4051 -0.1942 O.2 1 UNL1 -0.5100 4 O -5.9861 1.5423 1.1711 O.2 1 UNL1 -0.4144 5 O 7.1297 0.0572 0.0342 O.3 1 UNL1 -0.3260 6 O 6.2128 2.2302 0.0962 O.3 1 UNL1 -0.3204 7 N -0.9795 -1.8245 -0.1048 N.ar 1 UNL1 -0.4128 8 N 1.6741 0.5789 0.0344 N.ar 1 UNL1 -0.3105 9 C -3.8730 1.2982 0.0142 C.3 1 UNL1 0.1781 10 C -2.8597 0.1834 -0.0115 C.ar 1 UNL1 0.0430 11 C -0.5752 -0.4940 -0.0308 C.ar 1 UNL1 0.2094 12 C -3.2758 -1.1130 -0.0838 C.ar 1 UNL1 -0.2522 13 C 0.1733 -2.7628 -0.1249 C.3 1 UNL1 -0.0660 14 C 1.3635 -1.8457 -0.0705 C.ar 1 UNL1 -0.1121 15 C 0.8981 -0.4802 -0.0176 C.ar 1 UNL1 0.1266 16 C -1.4813 0.5239 0.0190 C.ar 1 UNL1 -0.2682 17 C -2.3329 -2.2213 -0.1316 C.ar 1 UNL1 0.5862 18 C -4.0848 1.8623 -1.4035 C.3 1 UNL1 -0.2550 19 C -4.7232 -1.4459 -0.1139 C.3 1 UNL1 -0.0010 20 C -5.2014 0.8248 0.6140 C.2 1 UNL1 0.5297 21 C 2.7066 -2.0819 -0.0659 C.ar 1 UNL1 -0.0942 22 C 3.5850 -0.9593 -0.0152 C.ar 1 UNL1 -0.0527 23 C 3.0325 0.3552 0.0348 C.ar 1 UNL1 0.1443 24 C -5.0829 3.0138 -1.4016 C.3 1 UNL1 -0.4381 25 C 5.0030 -1.1422 -0.0148 C.ar 1 UNL1 -0.2142 26 C 3.8660 1.5266 0.0761 C.ar 1 UNL1 -0.1971 27 C 5.7650 -0.0184 0.0258 C.ar 1 UNL1 0.1536 28 C 5.2042 1.3057 0.0712 C.ar 1 UNL1 0.1493 29 C 7.4420 1.4678 0.0813 C.3 1 UNL1 0.1543 30 H 0.1372 -3.3879 -1.0466 H 1 UNL1 0.1796 31 H 0.1105 -3.4595 0.7427 H 1 UNL1 0.1810 32 H -1.1707 1.5686 0.0739 H 1 UNL1 0.2125 33 H -4.4124 1.0574 -2.0865 H 1 UNL1 0.1474 34 H -3.1043 2.2180 -1.7883 H 1 UNL1 0.1648 35 H -5.1179 -1.5431 -1.1472 H 1 UNL1 0.1500 36 H -4.9633 -2.3823 0.4428 H 1 UNL1 0.1798 37 H 3.1234 -3.0879 -0.1015 H 1 UNL1 0.1736 38 H -6.0979 2.6792 -1.1521 H 1 UNL1 0.1556 39 H -4.8091 3.7735 -0.6522 H 1 UNL1 0.1708 40 H -5.1256 3.5113 -2.3761 H 1 UNL1 0.1425 41 H -3.3017 2.1429 1.7179 H 1 UNL1 0.3218 42 H 5.4305 -2.1392 -0.0505 H 1 UNL1 0.1850 43 H 3.4127 2.5152 0.1163 H 1 UNL1 0.2047 44 H 7.9705 1.6634 1.0273 H 1 UNL1 0.1478 45 H 7.9834 1.7175 -0.8423 H 1 UNL1 0.1473 @BOND 1 40 24 1 2 33 18 1 3 34 18 1 4 18 24 1 5 18 9 1 6 24 38 1 7 24 39 1 8 35 19 1 9 30 13 1 10 45 29 1 11 3 17 2 12 17 7 ar 13 17 12 ar 14 13 7 1 15 13 14 1 16 13 31 1 17 19 12 1 18 19 36 1 19 19 1 1 20 7 11 ar 21 37 21 1 22 12 10 ar 23 14 21 ar 24 14 15 ar 25 21 22 ar 26 42 25 1 27 11 15 1 28 11 16 ar 29 15 8 ar 30 22 25 ar 31 22 23 ar 32 25 27 ar 33 10 9 1 34 10 16 ar 35 9 20 1 36 9 2 1 37 16 32 1 38 27 5 1 39 27 28 ar 40 5 29 1 41 8 23 ar 42 23 26 ar 43 28 26 ar 44 28 6 1 45 26 43 1 46 29 6 1 47 29 44 1 48 1 20 1 49 20 4 2 50 2 41 1