@MOLECULE n-(1-hydroxy-2-methyl-2-propanyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4893 -1.1210 -1.4228 O.2 1 UNL1111 -0.5228 2 C 2.6731 -0.2407 -0.6075 C.2 1 UNL1111 0.6042 3 N 3.8034 -0.1955 0.1890 N.am 1 UNL1111 -0.6417 4 C 4.8216 -1.2675 0.1523 C.3 1 UNL1111 0.2680 5 C 4.1945 -2.6108 0.5425 C.3 1 UNL1111 -0.4828 6 C 5.4497 -1.3441 -1.2467 C.3 1 UNL1111 -0.4906 7 C 5.9187 -0.8851 1.1932 C.3 1 UNL1111 -0.0584 8 O 6.8967 -1.8935 1.2778 O.3 1 UNL1111 -0.5247 9 C 1.6908 0.8597 -0.3912 C.ar 1 UNL1111 -0.1687 10 C 2.1060 2.2081 -0.4116 C.ar 1 UNL1111 -0.1043 11 C 1.1957 3.2331 -0.2486 C.ar 1 UNL1111 -0.2090 12 C -0.1519 2.8815 -0.0774 C.ar 1 UNL1111 0.1050 13 N -1.2790 3.6791 0.0992 N.ar 1 UNL1111 -0.2474 14 C -1.2796 5.1264 0.1583 C.3 1 UNL1111 -0.2438 15 C -2.3999 2.8671 0.2077 C.ar 1 UNL1111 0.0016 16 C 0.3646 0.5009 -0.2233 C.ar 1 UNL1111 -0.0578 17 C -0.5867 1.5132 -0.0741 C.ar 1 UNL1111 -0.0653 18 C -2.0141 1.5316 0.1009 C.ar 1 UNL1111 -0.1489 19 C -2.9104 0.4158 0.1554 C.ar 1 UNL1111 0.1600 20 N -2.6436 -0.7713 -0.5491 N.ar 1 UNL1111 -0.3634 21 C -4.1196 0.2984 0.8336 C.ar 1 UNL1111 -0.2638 22 C -4.6439 -1.0017 0.5555 C.ar 1 UNL1111 -0.1132 23 C -5.7808 -1.7307 0.9108 C.ar 1 UNL1111 -0.0626 24 C -5.9134 -3.0145 0.4080 C.ar 1 UNL1111 -0.2800 25 C -3.6941 -1.6491 -0.3144 C.ar 1 UNL1111 0.2418 26 N -3.8122 -2.9048 -0.8102 N.ar 1 UNL1111 -0.3921 27 C -4.9167 -3.5601 -0.4407 C.ar 1 UNL1111 0.0655 28 H 3.8847 0.5034 0.9090 H 1 UNL1111 0.3089 29 H 3.5003 -2.9643 -0.2345 H 1 UNL1111 0.1781 30 H 4.9650 -3.3785 0.6822 H 1 UNL1111 0.1615 31 H 3.6284 -2.5398 1.4772 H 1 UNL1111 0.1532 32 H 5.9263 -0.4030 -1.5352 H 1 UNL1111 0.1487 33 H 6.1848 -2.1508 -1.3155 H 1 UNL1111 0.1453 34 H 4.6790 -1.5573 -2.0072 H 1 UNL1111 0.1905 35 H 6.4024 0.0745 0.9451 H 1 UNL1111 0.1182 36 H 5.5152 -0.8489 2.2223 H 1 UNL1111 0.1469 37 H 7.3271 -2.0325 0.4082 H 1 UNL1111 0.3115 38 H 3.1597 2.4376 -0.5725 H 1 UNL1111 0.1565 39 H 1.5030 4.2726 -0.2586 H 1 UNL1111 0.1569 40 H -0.7427 5.5546 -0.7107 H 1 UNL1111 0.1607 41 H -2.3100 5.5261 0.1495 H 1 UNL1111 0.1629 42 H -0.7818 5.4825 1.0814 H 1 UNL1111 0.1580 43 H -3.3870 3.2713 0.3459 H 1 UNL1111 0.1740 44 H 0.0726 -0.5508 -0.2051 H 1 UNL1111 0.1742 45 H -1.8521 -0.9441 -1.1316 H 1 UNL1111 0.3338 46 H -4.5759 1.0313 1.4603 H 1 UNL1111 0.1677 47 H -6.5332 -1.2946 1.5638 H 1 UNL1111 0.1554 48 H -6.7794 -3.6195 0.6568 H 1 UNL1111 0.1629 49 H -5.0196 -4.5766 -0.8387 H 1 UNL1111 0.1694 @BOND 1 1 2 2 2 2 3 am 3 2 9 1 4 3 4 1 5 3 28 1 6 4 5 1 7 4 6 1 8 4 7 1 9 5 29 1 10 5 30 1 11 5 31 1 12 6 32 1 13 6 33 1 14 6 34 1 15 7 8 1 16 7 35 1 17 7 36 1 18 8 37 1 19 9 10 ar 20 9 16 ar 21 10 11 ar 22 10 38 1 23 11 12 ar 24 11 39 1 25 12 13 ar 26 12 17 ar 27 13 14 1 28 13 15 ar 29 14 40 1 30 14 41 1 31 14 42 1 32 15 18 ar 33 15 43 1 34 16 17 ar 35 16 44 1 36 17 18 ar 37 18 19 1 38 19 20 ar 39 19 21 ar 40 20 25 ar 41 20 45 1 42 21 22 ar 43 21 46 1 44 22 23 ar 45 22 25 ar 46 23 24 ar 47 23 47 1 48 24 27 ar 49 24 48 1 50 25 26 ar 51 26 27 ar 52 27 49 1