@MOLECULE (1s,10s,12s,15s,16r,17s)-13-methyl-15-vinyl-19-oxa-3,13-diazahexacyclo[14.3.1.0~2,10~.0~4,9~.0~10,15~.0~12,17~]icosa-2,4,6,8-tetraene 45 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4799 -1.3309 0.7227 O.3 1 UNL1 -0.3976 2 N -1.0908 2.2704 -0.6008 N.3 1 UNL1 -0.4215 3 N 1.6306 -2.0994 0.0329 N.2 1 UNL1 -0.3751 4 C -0.6076 0.3620 0.9525 C.3 1 UNL1 -0.0179 5 C 0.1099 -0.2667 -0.2755 C.3 1 UNL1 0.0060 6 C -2.1147 0.0383 1.0053 C.3 1 UNL1 0.0882 7 C -2.8345 0.5336 -0.2868 C.3 1 UNL1 -0.2663 8 C -1.7783 1.1167 -1.2394 C.3 1 UNL1 0.0603 9 C -0.6746 0.0735 -1.5503 C.3 1 UNL1 -0.2916 10 C -0.6071 1.9113 0.7623 C.3 1 UNL1 -0.1322 11 C -1.0929 -3.4315 -1.1620 C.2 1 UNL1 -0.3146 12 C 0.3671 -1.7953 -0.0839 C.2 1 UNL1 0.1781 13 C -0.6678 -2.8251 -0.0531 C.2 1 UNL1 -0.0864 14 C -3.2513 -0.9447 -0.4540 C.3 1 UNL1 -0.0445 15 C 1.5540 0.2059 -0.3807 C.ar 1 UNL1 -0.0944 16 C 0.0354 -0.0894 2.2260 C.2 1 UNL1 -0.1581 17 C 2.3984 -0.9090 -0.1294 C.ar 1 UNL1 0.1111 18 C -1.9315 3.4821 -0.5695 C.3 1 UNL1 -0.2729 19 C 2.1077 1.4247 -0.7080 C.ar 1 UNL1 -0.1344 20 C 0.8953 0.6210 2.9527 C.2 1 UNL1 -0.2934 21 C 3.7770 -0.7958 -0.1161 C.ar 1 UNL1 -0.1520 22 C 3.5046 1.5472 -0.7025 C.ar 1 UNL1 -0.1654 23 C 4.3220 0.4629 -0.3962 C.ar 1 UNL1 -0.1394 24 H -2.5681 0.3189 1.9676 H 1 UNL1 0.1398 25 H -3.6695 1.2272 -0.1376 H 1 UNL1 0.1496 26 H -2.2485 1.4555 -2.1924 H 1 UNL1 0.1414 27 H 0.0077 0.4917 -2.3182 H 1 UNL1 0.1667 28 H -1.1155 -0.8328 -2.0006 H 1 UNL1 0.1546 29 H 0.4235 2.3191 0.8517 H 1 UNL1 0.1610 30 H -1.2003 2.3830 1.5718 H 1 UNL1 0.1304 31 H -1.8436 -4.2064 -1.1573 H 1 UNL1 0.1491 32 H -0.7108 -3.2198 -2.1488 H 1 UNL1 0.1480 33 H -1.0435 -3.0735 0.9452 H 1 UNL1 0.1780 34 H -2.8778 -1.4814 -1.3296 H 1 UNL1 0.1432 35 H -4.3075 -1.1630 -0.2730 H 1 UNL1 0.1328 36 H -0.2543 -1.1032 2.5207 H 1 UNL1 0.1628 37 H -2.8622 3.3868 0.0081 H 1 UNL1 0.1175 38 H -1.3397 4.3110 -0.1442 H 1 UNL1 0.1482 39 H -2.1884 3.7659 -1.6040 H 1 UNL1 0.1459 40 H 1.4780 2.2737 -0.9814 H 1 UNL1 0.1779 41 H 1.3445 0.2452 3.8616 H 1 UNL1 0.1538 42 H 1.2368 1.6132 2.7043 H 1 UNL1 0.1451 43 H 4.4061 -1.6566 0.0945 H 1 UNL1 0.1699 44 H 3.9522 2.5079 -0.9476 H 1 UNL1 0.1495 45 H 5.4036 0.5870 -0.3864 H 1 UNL1 0.1486 @BOND 1 27 9 1 2 26 8 1 3 32 11 1 4 28 9 1 5 39 18 1 6 9 8 1 7 9 5 1 8 34 14 1 9 8 2 1 10 8 7 1 11 11 31 1 12 11 13 2 13 40 19 1 14 44 22 1 15 19 22 ar 16 19 15 ar 17 22 23 ar 18 2 18 1 19 2 10 1 20 18 38 1 21 18 37 1 22 14 7 1 23 14 35 1 24 14 1 1 25 23 45 1 26 23 21 ar 27 15 5 1 28 15 17 ar 29 7 25 1 30 7 6 1 31 5 12 1 32 5 4 1 33 17 21 ar 34 17 3 1 35 21 43 1 36 12 13 1 37 12 3 2 38 13 33 1 39 1 6 1 40 10 29 1 41 10 4 1 42 10 30 1 43 4 6 1 44 4 16 1 45 6 24 1 46 16 36 1 47 16 20 2 48 42 20 1 49 20 41 1