@MOLECULE n-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1h-indol-3-yl)sulfanyl]pentanamide 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.8517 -1.8332 -0.5647 S.3 1 UNL1111111111 0.0653 2 O 1.7070 1.4737 -1.2004 O.2 1 UNL1111111111 -0.5331 3 O -2.1748 2.2974 1.3921 O.3 1 UNL1111111111 -0.5514 4 N -2.2150 -1.5675 1.8980 N.ar 1 UNL1111111111 -0.3692 5 N 0.5892 1.4035 0.7625 N.am 1 UNL1111111111 -0.6014 6 C 3.3443 -0.6955 -0.5002 C.3 1 UNL1111111111 -0.2718 7 C 4.3876 0.2186 0.1791 C.3 1 UNL1111111111 -0.0598 8 C 1.9614 -0.5260 0.1276 C.3 1 UNL1111111111 -0.2541 9 C 4.6918 -0.2460 1.6075 C.3 1 UNL1111111111 -0.4566 10 C 5.6748 0.2206 -0.6550 C.3 1 UNL1111111111 -0.4550 11 C -0.6381 -1.5297 0.2682 C.ar 1 UNL1111111111 -0.2471 12 C -1.8210 -0.9034 -0.2610 C.ar 1 UNL1111111111 -0.0860 13 C 1.4043 0.8441 -0.2071 C.2 1 UNL1111111111 0.5758 14 C -2.8002 -0.9595 0.7817 C.ar 1 UNL1111111111 0.0834 15 C -2.1746 -0.3027 -1.4837 C.ar 1 UNL1111111111 0.0956 16 C -0.9157 -1.9326 1.5685 C.ar 1 UNL1111111111 0.0058 17 C -4.0964 -0.4491 0.6403 C.ar 1 UNL1111111111 -0.2388 18 C -3.4624 0.1996 -1.6165 C.ar 1 UNL1111111111 -0.2368 19 C 0.0379 2.7469 0.5754 C.3 1 UNL1111111111 -0.1095 20 C -4.4084 0.1271 -0.5755 C.ar 1 UNL1111111111 -0.0813 21 C -1.2134 -0.1835 -2.6093 C.3 1 UNL1111111111 -0.4654 22 C -1.4640 2.7143 0.2450 C.3 1 UNL1111111111 -0.0354 23 H 3.3021 -0.4445 -1.5842 H 1 UNL1111111111 0.1700 24 H 3.6862 -1.7471 -0.4396 H 1 UNL1111111111 0.1511 25 H 3.9840 1.2613 0.2112 H 1 UNL1111111111 0.1446 26 H 2.0307 -0.6703 1.2308 H 1 UNL1111111111 0.1680 27 H 5.4889 0.5921 -1.6697 H 1 UNL1111111111 0.1486 28 H 6.4357 0.8682 -0.2066 H 1 UNL1111111111 0.1429 29 H 6.1027 -0.7832 -0.7400 H 1 UNL1111111111 0.1418 30 H 5.4799 0.3661 2.0602 H 1 UNL1111111111 0.1437 31 H 3.8126 -0.1695 2.2550 H 1 UNL1111111111 0.1387 32 H 5.0323 -1.2865 1.6276 H 1 UNL1111111111 0.1436 33 H -0.2855 -2.4476 2.2764 H 1 UNL1111111111 0.1780 34 H -2.6876 -1.7789 2.7484 H 1 UNL1111111111 0.3204 35 H 0.1503 0.8383 1.4702 H 1 UNL1111111111 0.3090 36 H -4.8174 -0.5084 1.4475 H 1 UNL1111111111 0.1648 37 H -3.7628 0.6657 -2.5540 H 1 UNL1111111111 0.1619 38 H 0.1961 3.3189 1.5211 H 1 UNL1111111111 0.1561 39 H 0.5962 3.2789 -0.2320 H 1 UNL1111111111 0.1744 40 H -5.4042 0.5401 -0.7412 H 1 UNL1111111111 0.1549 41 H -0.3214 0.4062 -2.3274 H 1 UNL1111111111 0.1881 42 H -0.8454 -1.1694 -2.9365 H 1 UNL1111111111 0.1782 43 H -1.6445 0.3047 -3.4930 H 1 UNL1111111111 0.1553 44 H -1.8540 3.7317 0.0526 H 1 UNL1111111111 0.1452 45 H -1.6927 2.0636 -0.6166 H 1 UNL1111111111 0.1330 46 H -2.2729 1.3250 1.4048 H 1 UNL1111111111 0.3147 @BOND 1 1 8 1 2 1 11 1 3 2 13 2 4 3 22 1 5 3 46 1 6 4 14 ar 7 4 16 ar 8 4 34 1 9 5 13 am 10 5 19 1 11 5 35 1 12 6 7 1 13 6 8 1 14 6 23 1 15 6 24 1 16 7 9 1 17 7 10 1 18 7 25 1 19 8 13 1 20 8 26 1 21 9 30 1 22 9 31 1 23 9 32 1 24 10 27 1 25 10 28 1 26 10 29 1 27 11 12 ar 28 11 16 ar 29 12 14 ar 30 12 15 ar 31 14 17 ar 32 15 18 ar 33 15 21 1 34 16 33 1 35 17 20 ar 36 17 36 1 37 18 20 ar 38 18 37 1 39 19 22 1 40 19 38 1 41 19 39 1 42 20 40 1 43 21 41 1 44 21 42 1 45 21 43 1 46 22 44 1 47 22 45 1