@MOLECULE 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3431 0.7981 1.3165 C.3 1 UNL1111111111 -0.0467 2 O 0.7854 0.5007 2.7624 O.2 1 UNL1111111111 -0.4968 3 C -0.3732 2.4777 -1.4560 C.ar 1 UNL1111111111 -0.1651 4 C 0.4251 2.8867 -2.5266 C.ar 1 UNL1111111111 -0.1480 5 C 1.8170 2.7877 -2.4802 C.ar 1 UNL1111111111 -0.1414 6 C 2.4788 2.2775 -1.3610 C.ar 1 UNL1111111111 -0.1862 7 C 1.6997 1.8705 -0.2900 C.ar 1 UNL1111111111 0.0991 8 C 0.2693 1.9695 -0.3390 C.ar 1 UNL1111111111 0.0915 9 N -0.2284 1.5130 0.8993 N.ar 1 UNL1111111111 -0.4417 10 C 0.8538 1.0071 1.6714 C.ar 1 UNL1111111111 0.6668 11 N 2.0419 1.3499 0.9723 N.ar 1 UNL1111111111 -0.4526 12 C 3.6672 -0.4654 0.4979 C.3 1 UNL1111111111 -0.2950 13 C 5.0488 -0.9909 0.8825 C.3 1 UNL1111111111 -0.3380 14 C -1.6025 1.0810 1.1186 C.3 1 UNL1111111111 -0.0474 15 C -2.0548 -0.0503 0.2496 C.ar 1 UNL1111111111 -0.0579 16 C -3.4451 -0.4863 0.2141 C.ar 1 UNL1111111111 -0.0736 17 C -3.6285 -1.5403 -0.7103 C.ar 1 UNL1111111111 -0.1045 18 S -2.1104 -1.9810 -1.4728 S.2 1 UNL1111111111 0.2010 19 C -1.2451 -0.7577 -0.5773 C.ar 1 UNL1111111111 -0.2725 20 C -4.5605 -0.0309 0.9384 C.ar 1 UNL1111111111 0.0630 21 C -5.8031 -0.6125 0.6944 C.ar 1 UNL1111111111 -0.2002 22 C -5.9608 -1.6436 -0.2389 C.ar 1 UNL1111111111 -0.1180 23 C -4.8688 -2.1228 -0.9477 C.ar 1 UNL1111111111 -0.1708 24 C -4.4759 1.0405 1.9709 C.3 1 UNL1111111111 -0.4561 25 C 5.4780 -2.0629 -0.0677 C.2 1 UNL1111111111 0.6456 26 O 5.0553 -2.3334 -1.1593 O.2 1 UNL1111111111 -0.5005 27 O 6.5128 -2.7654 0.4690 O.3 1 UNL1111111111 -0.5734 28 H 4.1138 1.5865 1.1478 H 1 UNL1111111111 0.1478 29 H 3.3442 0.5649 2.4113 H 1 UNL1111111111 0.1709 30 H -1.4566 2.5483 -1.5016 H 1 UNL1111111111 0.1694 31 H -0.0524 3.2886 -3.4193 H 1 UNL1111111111 0.1553 32 H 2.4037 3.1140 -3.3382 H 1 UNL1111111111 0.1542 33 H 3.5614 2.2061 -1.3344 H 1 UNL1111111111 0.1643 34 H 2.8940 -1.2420 0.6677 H 1 UNL1111111111 0.1659 35 H 3.6192 -0.2462 -0.5899 H 1 UNL1111111111 0.1706 36 H 5.8078 -0.1767 0.8730 H 1 UNL1111111111 0.1786 37 H 5.0520 -1.3778 1.9269 H 1 UNL1111111111 0.1870 38 H -1.6977 0.7874 2.2013 H 1 UNL1111111111 0.1879 39 H -2.2597 1.9751 0.9543 H 1 UNL1111111111 0.1670 40 H -0.1847 -0.6294 -0.7226 H 1 UNL1111111111 0.1841 41 H -6.6782 -0.2648 1.2420 H 1 UNL1111111111 0.1556 42 H -6.9485 -2.0726 -0.4023 H 1 UNL1111111111 0.1517 43 H -4.9873 -2.9319 -1.6657 H 1 UNL1111111111 0.1624 44 H -4.1996 2.0098 1.5298 H 1 UNL1111111111 0.1623 45 H -5.4332 1.2004 2.4892 H 1 UNL1111111111 0.1600 46 H -3.7436 0.7924 2.7547 H 1 UNL1111111111 0.1675 47 H 6.8499 -3.4877 -0.1141 H 1 UNL1111111111 0.3570 @BOND 1 1 12 1 2 1 28 1 3 1 29 1 4 2 10 2 5 3 4 ar 6 3 30 1 7 4 5 ar 8 4 31 1 9 5 32 1 10 6 5 ar 11 6 33 1 12 7 6 ar 13 8 3 ar 14 8 7 ar 15 9 8 ar 16 9 10 ar 17 10 11 ar 18 11 1 1 19 11 7 ar 20 12 34 1 21 12 35 1 22 13 12 1 23 13 25 1 24 13 36 1 25 13 37 1 26 14 9 1 27 14 38 1 28 14 39 1 29 15 14 1 30 15 19 ar 31 16 15 ar 32 17 16 ar 33 17 18 ar 34 18 19 ar 35 19 40 1 36 20 16 ar 37 21 20 ar 38 21 41 1 39 22 21 ar 40 22 23 ar 41 22 42 1 42 23 17 ar 43 23 43 1 44 24 20 1 45 24 44 1 46 24 45 1 47 24 46 1 48 25 27 1 49 26 25 2 50 27 47 1