@MOLECULE 3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methyl-2-pyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione 59 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5614 -0.1300 0.3485 C.3 1 UNL1 0.0636 2 C 0.1121 -1.0140 0.8019 C.ar 1 UNL1 0.0076 3 C 1.4746 -4.2359 -0.2038 C.ar 1 UNL1 -0.2142 4 C -1.3303 -4.0340 -0.6934 C.ar 1 UNL1 -0.0951 5 C 0.7634 -5.2785 -0.7678 C.ar 1 UNL1 -0.1212 6 C -0.6234 -5.1799 -1.0084 C.ar 1 UNL1 -0.1882 7 C -0.6869 1.1464 -1.3315 C.ar 1 UNL1 0.0060 8 C -2.6814 3.4913 0.6610 C.ar 1 UNL1 -0.0909 9 C -0.5083 4.7246 -0.7221 C.ar 1 UNL1 -0.2212 10 C -2.4388 4.8498 0.7598 C.ar 1 UNL1 -0.1917 11 C -1.3654 5.4593 0.0768 C.ar 1 UNL1 -0.1146 12 C 3.1002 -0.4959 0.0242 C.3 1 UNL1 -0.3531 13 C 2.5590 -1.5199 1.0391 C.3 1 UNL1 -0.0773 14 C 4.5769 0.9128 -1.9359 C.3 1 UNL1 -0.2665 15 H -5.6012 -1.0242 0.6357 H 1 UNL1 0.3368 16 H 0.7117 2.5345 -2.1416 H 1 UNL1 0.3110 17 C -1.0339 -1.6377 0.3021 C.ar 1 UNL1 -0.1529 18 C -1.7711 1.3127 -0.4690 C.ar 1 UNL1 -0.1293 19 O -3.7848 -2.9455 0.7839 O.2 1 UNL1 -0.4281 20 O -4.8077 1.4294 0.0453 O.2 1 UNL1 -0.4340 21 C 4.6646 0.5639 1.7344 C.3 1 UNL1 -0.3006 22 C 5.5877 1.7734 1.5247 C.3 1 UNL1 -0.2783 23 C 5.4681 2.0837 0.0223 C.3 1 UNL1 -0.1078 24 C -2.3177 -1.0311 0.2404 C.2 1 UNL1 -0.0439 25 C -2.6292 0.2651 -0.0310 C.2 1 UNL1 -0.0645 26 C -3.5902 -1.7900 0.5386 C.2 1 UNL1 0.5892 27 C -4.1169 0.4558 0.1417 C.2 1 UNL1 0.5920 28 N 5.2345 0.7686 -0.6298 N.3 1 UNL1 -0.4347 29 N -4.6332 -0.8260 0.4755 N.am 1 UNL1 -0.6786 30 C 0.7625 -3.0737 0.1186 C.ar 1 UNL1 0.0897 31 C -0.6444 -2.9558 -0.1254 C.ar 1 UNL1 -0.0408 32 C -1.8373 2.7147 -0.1386 C.ar 1 UNL1 -0.0416 33 C -0.7546 3.3506 -0.8240 C.ar 1 UNL1 0.0955 34 N 1.1887 -1.8804 0.7117 N.ar 1 UNL1 -0.2733 35 N -0.0644 2.3697 -1.5462 N.ar 1 UNL1 -0.3720 36 H 5.1806 -1.0660 0.3406 H 1 UNL1 0.1425 37 H 3.6762 0.8961 2.0938 H 1 UNL1 0.1428 38 H 5.0649 -0.1231 2.4948 H 1 UNL1 0.1415 39 H 5.3002 2.6316 2.1490 H 1 UNL1 0.1394 40 H 6.6302 1.5222 1.7878 H 1 UNL1 0.1470 41 H 2.4690 0.4116 0.0171 H 1 UNL1 0.1547 42 H 3.0311 -0.9251 -0.9950 H 1 UNL1 0.1608 43 H 4.6613 2.8183 -0.1676 H 1 UNL1 0.1149 44 H 6.4076 2.5017 -0.3921 H 1 UNL1 0.1403 45 H 3.1963 -2.4346 1.0466 H 1 UNL1 0.1574 46 H 2.5882 -1.1046 2.0749 H 1 UNL1 0.1560 47 H 3.5793 1.3746 -1.9080 H 1 UNL1 0.1125 48 H 5.2248 1.5302 -2.5842 H 1 UNL1 0.1465 49 H 4.5025 -0.0785 -2.4154 H 1 UNL1 0.1487 50 H 0.2044 -0.0271 1.2239 H 1 UNL1 0.1786 51 H 2.5390 -4.3136 -0.0163 H 1 UNL1 0.1536 52 H -2.4048 -3.9668 -0.8655 H 1 UNL1 0.1730 53 H 1.2763 -6.2019 -1.0339 H 1 UNL1 0.1488 54 H -1.1399 -6.0316 -1.4474 H 1 UNL1 0.1546 55 H -0.3350 0.2415 -1.7989 H 1 UNL1 0.1790 56 H -3.5211 3.0290 1.1808 H 1 UNL1 0.1733 57 H 0.3154 5.1890 -1.2507 H 1 UNL1 0.1538 58 H -3.0889 5.4721 1.3724 H 1 UNL1 0.1548 59 H -1.2177 6.5330 0.1853 H 1 UNL1 0.1486 @BOND 1 48 14 1 2 49 14 1 3 16 35 1 4 14 47 1 5 14 28 1 6 55 7 1 7 35 7 ar 8 35 33 ar 9 54 6 1 10 7 18 ar 11 57 9 1 12 53 5 1 13 6 5 ar 14 6 4 ar 15 42 12 1 16 52 4 1 17 33 9 ar 18 33 32 ar 19 5 3 ar 20 9 11 ar 21 4 31 ar 22 28 23 1 23 28 1 1 24 18 32 ar 25 18 25 1 26 44 23 1 27 3 51 1 28 3 30 ar 29 43 23 1 30 32 8 ar 31 31 30 ar 32 31 17 ar 33 25 27 1 34 25 24 2 35 41 12 1 36 23 22 1 37 12 1 1 38 12 13 1 39 20 27 2 40 11 59 1 41 11 10 ar 42 30 34 ar 43 27 29 am 44 24 17 1 45 24 26 1 46 17 2 ar 47 36 1 1 48 1 21 1 49 29 26 am 50 29 15 1 51 26 19 2 52 8 10 ar 53 8 56 1 54 34 2 ar 55 34 13 1 56 10 58 1 57 2 50 1 58 13 45 1 59 13 46 1 60 22 21 1 61 22 40 1 62 22 39 1 63 21 37 1 64 21 38 1