@MOLECULE 6-[(3r,5s)-3,5-dimethyl-1-piperazinyl]-5-methoxy-1-{[5-(2-pyridinyl)-2-thienyl]sulfonyl}indoline 61 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3155 -3.5853 -0.1604 C.3 1 UNL1 0.0618 2 C 4.6370 -2.9550 -0.5649 C.3 1 UNL1 0.0671 3 C 1.5166 0.6914 -0.0919 C.ar 1 UNL1 -0.2677 4 C 3.2652 2.1910 1.5599 C.ar 1 UNL1 -0.2406 5 C -3.5657 2.1329 -0.7360 C.ar 1 UNL1 -0.0787 6 C -4.5308 1.1968 -0.2644 C.ar 1 UNL1 -0.1538 7 C -4.3850 -2.5267 0.0425 C.ar 1 UNL1 -0.2539 8 C -6.4804 -2.0058 1.7368 C.ar 1 UNL1 0.0707 9 C -5.1340 -3.5909 0.5416 C.ar 1 UNL1 -0.0675 10 C -6.1971 -3.3383 1.4034 C.ar 1 UNL1 -0.2431 11 C 5.6605 0.9486 2.3146 C.3 1 UNL1 -0.2141 12 C 1.1800 -4.4984 -0.6383 C.3 1 UNL1 -0.4748 13 C 5.8491 -3.2224 -1.4642 C.3 1 UNL1 -0.4703 14 H 3.7639 -4.7794 -1.0637 H 1 UNL1 0.2569 15 C -2.3075 1.5943 -0.8612 C.ar 1 UNL1 -0.5503 16 C 2.6982 0.1076 0.3826 C.ar 1 UNL1 0.1311 17 C 3.5692 0.8793 1.1984 C.ar 1 UNL1 0.1267 18 C -4.0010 -0.0547 -0.0421 C.ar 1 UNL1 -0.1909 19 C -4.7252 -1.2201 0.4330 C.ar 1 UNL1 0.1897 20 O -0.1633 1.6428 -2.3151 O.2 1 UNL1 -0.8915 21 O -1.3605 3.8049 -1.8141 O.2 1 UNL1 -0.9137 22 C 0.1351 4.0626 0.6301 C.3 1 UNL1 -0.0511 23 C 1.5045 4.0938 1.3730 C.3 1 UNL1 -0.2855 24 C 1.8863 -2.0982 -0.3006 C.3 1 UNL1 -0.1175 25 C 4.2096 -1.4671 -0.6888 C.3 1 UNL1 -0.1152 26 O 4.6932 0.2085 1.5850 O.3 1 UNL1 -0.2813 27 C 1.2007 1.9889 0.2991 C.ar 1 UNL1 0.1889 28 C 2.0756 2.7366 1.1119 C.ar 1 UNL1 -0.0715 29 S -0.9233 2.4841 -1.4271 S.O2 1 UNL1 2.3916 30 N 0.0021 2.6952 0.0404 N.pl3 1 UNL1 -0.7306 31 N 3.0153 -1.2601 0.1657 N.pl3 1 UNL1 -0.4114 32 N 3.5035 -3.7982 -1.0236 N.3 1 UNL1 -0.5833 33 N -5.7651 -0.9724 1.2664 N.ar 1 UNL1 -0.3839 34 S -2.3087 -0.0640 -0.3945 S.2 1 UNL1 0.4191 35 H 0.8827 0.1464 -0.7896 H 1 UNL1 0.1921 36 H -0.7081 4.2113 1.3357 H 1 UNL1 0.1397 37 H 0.0805 4.8590 -0.1408 H 1 UNL1 0.1513 38 H 2.1580 4.8959 0.9901 H 1 UNL1 0.1514 39 H 1.3717 4.2812 2.4522 H 1 UNL1 0.1517 40 H 3.9312 2.7750 2.1856 H 1 UNL1 0.1618 41 H -3.8312 3.1612 -0.9685 H 1 UNL1 0.1806 42 H -5.5688 1.4523 -0.0948 H 1 UNL1 0.1784 43 H 1.6031 -1.8898 -1.3560 H 1 UNL1 0.1444 44 H 1.0038 -1.9074 0.3465 H 1 UNL1 0.1469 45 H 5.0362 -0.8126 -0.3403 H 1 UNL1 0.1555 46 H 4.0043 -1.2172 -1.7524 H 1 UNL1 0.1383 47 H 2.5430 -3.7923 0.9174 H 1 UNL1 0.1220 48 H 4.9005 -3.1615 0.5047 H 1 UNL1 0.1228 49 H -3.5660 -2.7145 -0.6468 H 1 UNL1 0.1749 50 H 6.0335 1.7974 1.7347 H 1 UNL1 0.1307 51 H 5.2619 1.2682 3.2820 H 1 UNL1 0.1312 52 H 6.4536 0.2028 2.4597 H 1 UNL1 0.1491 53 H -7.3095 -1.7412 2.4057 H 1 UNL1 0.1753 54 H -4.8880 -4.6138 0.2546 H 1 UNL1 0.1589 55 H 1.4293 -5.5550 -0.4975 H 1 UNL1 0.1416 56 H 0.2527 -4.2980 -0.0922 H 1 UNL1 0.1507 57 H 0.9834 -4.3518 -1.7090 H 1 UNL1 0.1628 58 H 5.5843 -3.1054 -2.5242 H 1 UNL1 0.1641 59 H 6.6683 -2.5303 -1.2433 H 1 UNL1 0.1499 60 H 6.2294 -4.2405 -1.3341 H 1 UNL1 0.1439 61 H -6.7971 -4.1474 1.8087 H 1 UNL1 0.1685 @BOND 1 58 13 1 2 20 29 2 3 21 29 2 4 46 25 1 5 57 12 1 6 13 60 1 7 13 59 1 8 13 2 1 9 29 15 1 10 29 30 1 11 43 24 1 12 14 32 1 13 32 2 1 14 32 1 1 15 41 5 1 16 15 5 ar 17 15 34 ar 18 35 3 1 19 5 6 ar 20 25 2 1 21 25 45 1 22 25 31 1 23 49 7 1 24 12 55 1 25 12 1 1 26 12 56 1 27 2 48 1 28 34 18 ar 29 24 1 1 30 24 31 1 31 24 44 1 32 6 42 1 33 6 18 ar 34 1 47 1 35 37 22 1 36 3 27 ar 37 3 16 ar 38 18 19 1 39 30 27 1 40 30 22 1 41 7 19 ar 42 7 9 ar 43 31 16 1 44 54 9 1 45 27 28 ar 46 16 17 ar 47 19 33 ar 48 9 10 ar 49 22 36 1 50 22 23 1 51 38 23 1 52 28 23 1 53 28 4 ar 54 17 4 ar 55 17 26 1 56 33 8 ar 57 23 39 1 58 10 8 ar 59 10 61 1 60 4 40 1 61 26 11 1 62 50 11 1 63 8 53 1 64 11 52 1 65 11 51 1