@MOLECULE (1'r,9r,9as,12'r)-12'-methyl-1,9a-dihydro-3'h,15'h-spiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca[4,6,8,10]tetraene]-3,3',15'(2h)-trione 50 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0708 4.0745 -0.8308 O.2 1 UNL1 -0.4704 2 O 3.5202 -3.4331 -0.9194 O.2 1 UNL1 -0.4348 3 O -3.0570 0.9631 -2.2999 O.2 1 UNL1 -0.4646 4 N 2.3494 -1.8142 0.2507 N.am 1 UNL1 -0.4916 5 N 0.2976 2.5088 0.7811 N.am 1 UNL1 -0.6262 6 N -1.5695 1.0110 -0.5925 N.ar 1 UNL1 -0.4888 7 N 0.2747 -1.9593 -0.9178 N.3 1 UNL1 -0.5621 8 N -1.9430 -0.1109 1.4787 N.ar 1 UNL1 -0.4817 9 C 1.1332 0.3133 -0.0268 C.3 1 UNL1 -0.0191 10 C 0.2447 1.0656 1.0458 C.3 1 UNL1 0.2605 11 C 0.9641 -1.2530 0.1902 C.3 1 UNL1 0.1764 12 C 0.7253 0.8005 -1.4333 C.3 1 UNL1 -0.3155 13 C -0.5179 1.7137 -1.3472 C.3 1 UNL1 0.0172 14 C 2.6064 0.5080 0.2065 C.ar 1 UNL1 -0.1131 15 C -1.1947 0.6086 0.6908 C.ar 1 UNL1 0.3338 16 C 3.2703 -0.7361 0.3198 C.ar 1 UNL1 0.1779 17 C 0.6226 0.7812 2.4871 C.3 1 UNL1 -0.4721 18 C -0.0943 2.9223 -0.4849 C.2 1 UNL1 0.5552 19 C 1.1237 -3.1060 -1.3278 C.3 1 UNL1 -0.1962 20 C 2.4934 -2.8561 -0.7043 C.2 1 UNL1 0.5655 21 C 3.3363 1.6788 0.2759 C.ar 1 UNL1 -0.1099 22 C -2.8081 0.6300 -1.1665 C.ar 1 UNL1 0.5964 23 C 4.6414 -0.8301 0.4988 C.ar 1 UNL1 -0.1914 24 C 4.7211 1.5983 0.4701 C.ar 1 UNL1 -0.1833 25 C -3.6570 -0.1600 -0.2714 C.ar 1 UNL1 -0.2449 26 C -3.2019 -0.5064 1.0174 C.ar 1 UNL1 0.2201 27 C 5.3610 0.3663 0.5781 C.ar 1 UNL1 -0.1069 28 C -4.9216 -0.5806 -0.7040 C.ar 1 UNL1 -0.0468 29 C -4.0192 -1.2779 1.8665 C.ar 1 UNL1 -0.1904 30 C -5.7188 -1.3378 0.1377 C.ar 1 UNL1 -0.1997 31 C -5.2645 -1.6834 1.4206 C.ar 1 UNL1 -0.0809 32 H 0.4699 -1.4563 1.1786 H 1 UNL1 0.1609 33 H 0.5117 -0.0613 -2.1056 H 1 UNL1 0.2064 34 H 1.5584 1.3411 -1.9227 H 1 UNL1 0.1733 35 H -0.8955 2.0327 -2.3512 H 1 UNL1 0.2085 36 H 0.5825 3.1436 1.5052 H 1 UNL1 0.3359 37 H 0.4387 -0.2691 2.7646 H 1 UNL1 0.1835 38 H 1.6847 0.9881 2.6785 H 1 UNL1 0.1722 39 H 0.0184 1.3746 3.1904 H 1 UNL1 0.1783 40 H -0.6687 -2.2404 -0.6635 H 1 UNL1 0.2812 41 H 1.2030 -3.0991 -2.4405 H 1 UNL1 0.1895 42 H 0.7200 -4.0930 -1.0274 H 1 UNL1 0.1627 43 H 2.8518 2.6495 0.1741 H 1 UNL1 0.1674 44 H 5.1332 -1.7996 0.5652 H 1 UNL1 0.1839 45 H 5.3039 2.5155 0.5308 H 1 UNL1 0.1568 46 H 6.4410 0.3278 0.7225 H 1 UNL1 0.1563 47 H -5.2629 -0.3012 -1.7055 H 1 UNL1 0.1763 48 H -3.6557 -1.5343 2.8614 H 1 UNL1 0.1788 49 H -6.7036 -1.6668 -0.1893 H 1 UNL1 0.1621 50 H -5.9077 -2.2788 2.0704 H 1 UNL1 0.1532 @BOND 1 41 19 1 2 35 13 1 3 3 22 2 4 33 12 1 5 34 12 1 6 47 28 1 7 12 13 1 8 12 9 1 9 13 6 1 10 13 18 1 11 19 42 1 12 19 7 1 13 19 20 1 14 22 6 ar 15 22 25 ar 16 2 20 2 17 7 40 1 18 7 11 1 19 1 18 2 20 20 4 am 21 28 25 ar 22 28 30 ar 23 6 15 ar 24 18 5 am 25 25 26 ar 26 49 30 1 27 9 11 1 28 9 14 1 29 9 10 1 30 30 31 ar 31 43 21 1 32 11 4 1 33 11 32 1 34 14 21 ar 35 14 16 ar 36 4 16 1 37 21 24 ar 38 16 23 ar 39 24 45 1 40 24 27 ar 41 23 44 1 42 23 27 ar 43 27 46 1 44 15 10 1 45 15 8 ar 46 5 10 1 47 5 36 1 48 26 8 ar 49 26 29 ar 50 10 17 1 51 31 29 ar 52 31 50 1 53 29 48 1 54 17 38 1 55 17 37 1 56 17 39 1