@MOLECULE 4-({1-(4-ethylphenyl)-2-methyl-5-[4-(methylsulfanyl)phenyl]-1h-pyrrol-3-yl}methyl)thiomorpholine 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.3728 1.7646 1.2500 C.3 1 UNL1111111111 -0.4460 2 C -1.6286 0.5024 1.0953 C.ar 1 UNL1111111111 0.1312 3 N -0.2704 0.4275 0.7977 N.ar 1 UNL1111111111 -0.2405 4 C 0.6142 1.5189 0.5996 C.ar 1 UNL1111111111 0.1331 5 C 1.7506 1.6386 1.4094 C.ar 1 UNL1111111111 -0.1619 6 C 2.6475 2.6734 1.1745 C.ar 1 UNL1111111111 -0.1572 7 C 2.4131 3.5908 0.1464 C.ar 1 UNL1111111111 0.0228 8 C 3.4072 4.6770 -0.1290 C.3 1 UNL1111111111 -0.2692 9 C 4.4746 4.1632 -1.1000 C.3 1 UNL1111111111 -0.4261 10 C 1.2644 3.4761 -0.6400 C.ar 1 UNL1111111111 -0.1649 11 C 0.3621 2.4407 -0.4227 C.ar 1 UNL1111111111 -0.1734 12 C -2.1065 -0.8074 1.2183 C.ar 1 UNL1111111111 -0.1493 13 C -3.5109 -1.1969 1.4984 C.3 1 UNL1111111111 -0.0859 14 N -4.4161 -0.6231 0.4612 N.3 1 UNL1111111111 -0.4387 15 C -5.8361 -0.8597 0.8213 C.3 1 UNL1111111111 -0.1105 16 C -6.7217 0.0868 0.0040 C.3 1 UNL1111111111 -0.3224 17 S -6.5572 -0.2446 -1.7898 S.3 1 UNL1111111111 -0.0554 18 C -4.7323 -0.2660 -1.9493 C.3 1 UNL1111111111 -0.3181 19 C -4.0997 -1.1640 -0.8835 C.3 1 UNL1111111111 -0.1123 20 C -1.0162 -1.6952 1.0053 C.ar 1 UNL1111111111 -0.2136 21 C 0.1138 -0.9221 0.7453 C.ar 1 UNL1111111111 0.0173 22 C 1.4610 -1.3552 0.4265 C.ar 1 UNL1111111111 -0.0124 23 C 2.0811 -2.3259 1.2214 C.ar 1 UNL1111111111 -0.1272 24 C 3.3734 -2.7487 0.9302 C.ar 1 UNL1111111111 -0.1613 25 C 2.1432 -0.8268 -0.6733 C.ar 1 UNL1111111111 -0.1322 26 C 3.4400 -1.2424 -0.9625 C.ar 1 UNL1111111111 -0.1773 27 C 4.0555 -2.1997 -0.1592 C.ar 1 UNL1111111111 -0.0619 28 S 5.7008 -2.7950 -0.4231 S.3 1 UNL1111111111 0.0403 29 C 6.2975 -1.9409 -1.9141 C.3 1 UNL1111111111 -0.5004 30 H -3.2231 1.7936 0.5412 H 1 UNL1111111111 0.1853 31 H -2.8176 1.8377 2.2562 H 1 UNL1111111111 0.1671 32 H -1.7660 2.6643 1.0920 H 1 UNL1111111111 0.1576 33 H 1.9318 0.9156 2.2053 H 1 UNL1111111111 0.1735 34 H -0.5246 2.3359 -1.0478 H 1 UNL1111111111 0.1726 35 H 3.5414 2.7631 1.7905 H 1 UNL1111111111 0.1599 36 H 2.9104 5.5737 -0.5505 H 1 UNL1111111111 0.1446 37 H 3.8842 5.0247 0.8098 H 1 UNL1111111111 0.1470 38 H 1.0786 4.1946 -1.4367 H 1 UNL1111111111 0.1559 39 H 4.9977 3.2903 -0.6904 H 1 UNL1111111111 0.1508 40 H 4.0304 3.8584 -2.0551 H 1 UNL1111111111 0.1479 41 H 5.2246 4.9324 -1.3111 H 1 UNL1111111111 0.1400 42 H -3.6045 -2.3037 1.5771 H 1 UNL1111111111 0.1226 43 H -3.8219 -0.7765 2.4861 H 1 UNL1111111111 0.1445 44 H -1.0609 -2.7620 1.0272 H 1 UNL1111111111 0.1633 45 H -6.1484 -1.9183 0.6840 H 1 UNL1111111111 0.1253 46 H -5.9710 -0.6299 1.9035 H 1 UNL1111111111 0.1376 47 H -2.9891 -1.1516 -1.0155 H 1 UNL1111111111 0.1630 48 H -4.4141 -2.2226 -1.0093 H 1 UNL1111111111 0.1245 49 H -7.7849 -0.0348 0.2721 H 1 UNL1111111111 0.1556 50 H -6.4460 1.1383 0.2102 H 1 UNL1111111111 0.1663 51 H -4.4875 -0.6237 -2.9643 H 1 UNL1111111111 0.1583 52 H -4.3423 0.7652 -1.8581 H 1 UNL1111111111 0.1652 53 H 1.5457 -2.7451 2.0735 H 1 UNL1111111111 0.1625 54 H 1.6576 -0.0847 -1.3075 H 1 UNL1111111111 0.1619 55 H 3.8373 -3.5061 1.5636 H 1 UNL1111111111 0.1615 56 H 3.9480 -0.8048 -1.8198 H 1 UNL1111111111 0.1540 57 H 5.6987 -2.1838 -2.7985 H 1 UNL1111111111 0.1664 58 H 6.3199 -0.8531 -1.7894 H 1 UNL1111111111 0.1653 59 H 7.3254 -2.2795 -2.1006 H 1 UNL1111111111 0.1734 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 3 ar 6 2 12 ar 7 3 4 1 8 3 21 ar 9 4 5 ar 10 4 11 ar 11 5 6 ar 12 5 33 1 13 6 7 ar 14 6 35 1 15 7 8 1 16 7 10 ar 17 8 9 1 18 8 36 1 19 8 37 1 20 9 39 1 21 9 40 1 22 9 41 1 23 10 11 ar 24 10 38 1 25 11 34 1 26 12 13 1 27 12 20 ar 28 13 14 1 29 13 42 1 30 13 43 1 31 14 15 1 32 14 19 1 33 15 16 1 34 15 45 1 35 15 46 1 36 16 17 1 37 16 49 1 38 16 50 1 39 17 18 1 40 18 19 1 41 18 51 1 42 18 52 1 43 19 47 1 44 19 48 1 45 20 21 ar 46 20 44 1 47 21 22 1 48 22 23 ar 49 22 25 ar 50 23 24 ar 51 23 53 1 52 24 27 ar 53 24 55 1 54 25 26 ar 55 25 54 1 56 26 27 ar 57 26 56 1 58 27 28 1 59 28 29 1 60 29 57 1 61 29 58 1 62 29 59 1