@MOLECULE (5r,5ar,8as,9s)-9-{[2-(dimethylamino)ethyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7801 -0.2810 1.2381 C.3 1 UNL1 -0.1000 2 C -0.1194 -1.6105 0.8821 C.3 1 UNL1 -0.2317 3 C 0.3736 -1.5567 -0.5777 C.3 1 UNL1 -0.1667 4 C 1.5974 -0.6336 -0.6701 C.3 1 UNL1 0.0643 5 C -0.0530 2.0634 1.5616 C.ar 1 UNL1 -0.2018 6 C 2.0739 1.7847 -0.3351 C.ar 1 UNL1 -0.2038 7 C -2.1511 0.6995 -0.6502 C.ar 1 UNL1 -0.3167 8 C -3.2188 -0.7346 0.9845 C.ar 1 UNL1 -0.2928 9 C 4.0629 -0.8133 -0.5499 C.3 1 UNL1 -0.1106 10 C 5.1466 -1.8101 -0.0636 C.3 1 UNL1 -0.1302 11 C -2.4209 2.2776 -2.9530 C.3 1 UNL1 -0.2176 12 C -5.5170 -2.3077 1.5136 C.3 1 UNL1 -0.1843 13 C 7.5234 -1.6912 0.4770 C.3 1 UNL1 -0.2805 14 C 6.8092 -1.6190 -1.8425 C.3 1 UNL1 -0.2818 15 H -6.3948 -0.1754 -1.1497 H 1 UNL1 0.3271 16 H 2.7198 -1.2423 0.9667 H 1 UNL1 0.2624 17 C -2.0835 -0.0899 0.4986 C.ar 1 UNL1 0.0488 18 C -3.3632 0.8533 -1.3215 C.ar 1 UNL1 0.1980 19 C -4.4250 -0.5969 0.3011 C.ar 1 UNL1 0.1658 20 C -4.5167 0.1980 -0.8509 C.ar 1 UNL1 0.0784 21 O -1.7668 -3.2813 1.6506 O.2 1 UNL1 -0.4611 22 C 0.5283 -3.0464 -0.9064 C.3 1 UNL1 -0.0398 23 C 1.7968 5.0882 1.0304 C.3 1 UNL1 0.1567 24 O -5.6719 0.3805 -1.5452 O.3 1 UNL1 -0.4192 25 O -3.5593 1.5924 -2.4439 O.3 1 UNL1 -0.2549 26 O -5.6094 -1.1618 0.6734 O.3 1 UNL1 -0.3417 27 C -0.9184 -2.8943 0.9000 C.2 1 UNL1 0.5985 28 C 0.1987 0.8318 0.9144 C.ar 1 UNL1 -0.0019 29 C 1.2500 0.6891 0.0058 C.ar 1 UNL1 -0.0944 30 C 0.7695 3.1097 1.2378 C.ar 1 UNL1 0.1332 31 C 1.8151 2.9738 0.2937 C.ar 1 UNL1 0.1193 32 O -0.4802 -3.7112 -0.1163 O.3 1 UNL1 -0.4010 33 O 0.7297 4.3937 1.7167 O.3 1 UNL1 -0.3304 34 O 2.4683 4.1700 0.1369 O.3 1 UNL1 -0.3375 35 N 6.4625 -1.2502 -0.4533 N.3 1 UNL1 -0.3928 36 N 2.7600 -1.3029 -0.0503 N.3 1 UNL1 -0.5635 37 H -0.9941 -0.2695 2.3430 H 1 UNL1 0.1724 38 H 0.7419 -1.7732 1.5847 H 1 UNL1 0.1766 39 H -0.4273 -1.1245 -1.2335 H 1 UNL1 0.1717 40 H 1.8251 -0.4515 -1.7550 H 1 UNL1 0.1504 41 H -0.8744 2.1725 2.2666 H 1 UNL1 0.1885 42 H 2.8735 1.6890 -1.0643 H 1 UNL1 0.1766 43 H 0.2923 -3.3120 -1.9458 H 1 UNL1 0.1436 44 H 1.5046 -3.4655 -0.6089 H 1 UNL1 0.1593 45 H -1.2605 1.2042 -1.0144 H 1 UNL1 0.1742 46 H -3.1602 -1.3498 1.8814 H 1 UNL1 0.1878 47 H 1.3423 5.8784 0.4172 H 1 UNL1 0.1425 48 H 2.5251 5.4141 1.7857 H 1 UNL1 0.1432 49 H 4.3165 0.2095 -0.1956 H 1 UNL1 0.1365 50 H 4.0476 -0.7806 -1.6587 H 1 UNL1 0.1389 51 H 5.0891 -1.9088 1.0409 H 1 UNL1 0.1373 52 H 4.9494 -2.8195 -0.4791 H 1 UNL1 0.1310 53 H -2.8413 2.7941 -3.8266 H 1 UNL1 0.1524 54 H -2.0396 3.0042 -2.2286 H 1 UNL1 0.1363 55 H -1.6428 1.5740 -3.2626 H 1 UNL1 0.1321 56 H -6.5460 -2.6884 1.5014 H 1 UNL1 0.1469 57 H -4.8214 -3.0504 1.1058 H 1 UNL1 0.1485 58 H -5.2243 -2.0099 2.5255 H 1 UNL1 0.1350 59 H 7.6633 -2.7805 0.5293 H 1 UNL1 0.1194 60 H 8.4797 -1.2313 0.1759 H 1 UNL1 0.1474 61 H 7.2917 -1.3154 1.4878 H 1 UNL1 0.1468 62 H 6.0276 -1.2443 -2.5232 H 1 UNL1 0.1433 63 H 7.7500 -1.1156 -2.1213 H 1 UNL1 0.1465 64 H 6.9293 -2.6992 -2.0117 H 1 UNL1 0.1192 @BOND 1 53 11 1 2 55 11 1 3 11 25 1 4 11 54 1 5 62 14 1 6 25 18 1 7 63 14 1 8 64 14 1 9 43 22 1 10 14 35 1 11 40 4 1 12 50 9 1 13 24 15 1 14 24 20 1 15 18 20 ar 16 18 7 ar 17 39 3 1 18 42 6 1 19 45 7 1 20 22 44 1 21 22 3 1 22 22 32 1 23 20 19 ar 24 4 3 1 25 4 36 1 26 4 29 1 27 7 17 ar 28 3 2 1 29 9 49 1 30 9 10 1 31 9 36 1 32 52 10 1 33 35 10 1 34 35 13 1 35 6 29 ar 36 6 31 ar 37 32 27 1 38 10 51 1 39 36 16 1 40 29 28 ar 41 34 31 1 42 34 23 1 43 60 13 1 44 31 30 ar 45 19 26 1 46 19 8 ar 47 47 23 1 48 13 59 1 49 13 61 1 50 17 8 ar 51 17 1 1 52 26 12 1 53 2 27 1 54 2 1 1 55 2 38 1 56 27 21 2 57 28 1 1 58 28 5 ar 59 8 46 1 60 23 33 1 61 23 48 1 62 57 12 1 63 30 5 ar 64 30 33 1 65 1 37 1 66 56 12 1 67 12 58 1 68 5 41 1