@MOLECULE 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-indole-2-carboxylic acid 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0984 -1.4359 -0.6078 O.3 1 UNL1111111111 -0.3376 2 O 4.5859 -1.4465 -0.7493 O.3 1 UNL1111111111 -0.5555 3 O -2.5947 2.7864 -0.9335 O.3 1 UNL1111111111 -0.5321 4 OXT -4.5433 1.9947 -0.1744 O.2 1 UNL1111111111 -0.5165 5 N 2.1376 0.8927 0.5912 N.3 1 UNL1111111111 -0.5804 6 N -3.3035 -0.5671 0.2575 N.ar 1 UNL1111111111 -0.3249 7 C 1.9548 2.3653 0.5892 C.3 1 UNL1111111111 0.2883 8 C 3.0035 0.3657 -0.4823 C.3 1 UNL1111111111 -0.1494 9 C 3.3966 -1.0750 -0.0898 C.3 1 UNL1111111111 0.1295 10 C 0.8109 2.6677 1.5813 C.3 1 UNL1111111111 -0.4765 11 C 3.2558 3.0214 1.0886 C.3 1 UNL1111111111 -0.4701 12 C 1.5829 2.9403 -0.7943 C.3 1 UNL1111111111 -0.5074 13 C 2.3271 -2.1380 -0.4270 C.3 1 UNL1111111111 -0.1047 14 C -1.1355 -1.1172 -0.1574 C.ar 1 UNL1111111111 -0.2085 15 C -0.0397 -2.0094 -0.1585 C.ar 1 UNL1111111111 0.3250 16 C -2.3946 -1.6019 0.3286 C.ar 1 UNL1111111111 0.1948 17 C -1.3155 0.2443 -0.5317 C.ar 1 UNL1111111111 -0.0877 18 CA -2.6398 0.5624 -0.2613 C.ar 1 UNL1111111111 -0.0821 19 C -0.2051 -3.3169 0.2563 C.ar 1 UNL1111111111 -0.3730 20 C -2.5660 -2.9292 0.7718 C.ar 1 UNL1111111111 -0.2980 21 C -1.4675 -3.7585 0.7171 C.ar 1 UNL1111111111 -0.0091 22 C -3.3799 1.8006 -0.4318 C.2 1 UNL1111111111 0.6538 23 H 1.2383 0.4089 0.5733 H 1 UNL1111111111 0.2734 24 H 2.5249 0.3865 -1.4832 H 1 UNL1111111111 0.1239 25 H 3.9313 0.9782 -0.5459 H 1 UNL1111111111 0.1531 26 H 3.6926 -1.1200 0.9861 H 1 UNL1111111111 0.1684 27 H 1.0143 2.2128 2.5586 H 1 UNL1111111111 0.1593 28 H 0.6933 3.7441 1.7308 H 1 UNL1111111111 0.1478 29 H -0.1485 2.2760 1.2266 H 1 UNL1111111111 0.1499 30 H 3.1132 4.0876 1.2809 H 1 UNL1111111111 0.1418 31 H 4.0703 2.9162 0.3653 H 1 UNL1111111111 0.1422 32 H 3.5876 2.5473 2.0217 H 1 UNL1111111111 0.1617 33 H 0.6820 2.4687 -1.1993 H 1 UNL1111111111 0.1512 34 H 1.3827 4.0145 -0.7265 H 1 UNL1111111111 0.1529 35 H 2.3882 2.8061 -1.5213 H 1 UNL1111111111 0.1439 36 H 2.2654 -2.8901 0.3762 H 1 UNL1111111111 0.1440 37 H 2.5358 -2.6448 -1.3863 H 1 UNL1111111111 0.1448 38 H 4.5261 -1.3088 -1.7134 H 1 UNL1111111111 0.3139 39 H -0.5686 0.8912 -0.9522 H 1 UNL1111111111 0.1795 40 H -4.2527 -0.5696 0.5657 H 1 UNL1111111111 0.3313 41 H 0.6135 -4.0285 0.2357 H 1 UNL1111111111 0.1684 42 H -3.5264 -3.2732 1.1341 H 1 UNL1111111111 0.1658 43 H -1.5576 -4.7972 1.0416 H 1 UNL1111111111 0.1477 44 H -3.0856 3.6406 -1.0552 H 1 UNL1111111111 0.3573 @BOND 1 1 13 1 2 1 15 1 3 2 9 1 4 2 38 1 5 3 22 1 6 3 44 1 7 4 22 2 8 5 7 1 9 5 8 1 10 5 23 1 11 6 16 ar 12 6 18 ar 13 6 40 1 14 7 10 1 15 7 11 1 16 7 12 1 17 8 9 1 18 8 24 1 19 8 25 1 20 9 13 1 21 9 26 1 22 10 27 1 23 10 28 1 24 10 29 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 33 1 29 12 34 1 30 12 35 1 31 13 36 1 32 13 37 1 33 14 15 ar 34 14 16 ar 35 14 17 ar 36 15 19 ar 37 16 20 ar 38 17 18 ar 39 17 39 1 40 18 22 1 41 19 21 ar 42 19 41 1 43 20 21 ar 44 20 42 1 45 21 43 1