@MOLECULE 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-iodo-1h-indole-2-carbonitrile 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.5901 1.7602 -0.0821 I 1 UNL111111 0.0725 2 O 0.7540 -0.5821 0.4725 O.3 1 UNL111111 -0.3389 3 O 2.3547 1.2766 2.0009 O.3 1 UNL111111 -0.5671 4 N 4.6497 0.1453 -0.5715 N.3 1 UNL111111 -0.5723 5 N -3.5434 -2.0537 -0.2823 N.ar 1 UNL111111 -0.3417 6 N -5.6163 0.7317 -0.7772 N.1 1 UNL111111 -0.2010 7 C 2.6748 0.6740 0.7616 C.3 1 UNL111111 0.1398 8 C 4.2194 0.6982 0.7278 C.3 1 UNL111111 -0.1438 9 C 6.0714 -0.2667 -0.5899 C.3 1 UNL111111 0.1056 10 C 2.1512 -0.7691 0.7295 C.3 1 UNL111111 -0.0970 11 C -1.3859 -1.3924 0.0940 C.ar 1 UNL111111 -0.1977 12 C -0.0229 -1.6739 0.3587 C.ar 1 UNL111111 0.3389 13 C -2.2673 -2.5202 -0.0244 C.ar 1 UNL111111 0.1946 14 C 7.0526 0.9080 -0.4246 C.3 1 UNL111111 -0.5055 15 C 6.3261 -0.9801 -1.9279 C.3 1 UNL111111 -0.4643 16 C -2.1885 -0.2297 -0.1032 C.ar 1 UNL111111 -0.0649 17 C 0.4136 -2.9830 0.4861 C.ar 1 UNL111111 -0.3763 18 C -1.8329 -3.8519 0.1070 C.ar 1 UNL111111 -0.3006 19 C -3.4990 -0.6469 -0.3281 C.ar 1 UNL111111 0.0143 20 C -0.4937 -4.0554 0.3593 C.ar 1 UNL111111 -0.0015 21 C -4.6633 0.1064 -0.5745 C.1 1 UNL111111 0.1122 22 H 2.2258 1.2839 -0.0544 H 1 UNL111111 0.1401 23 H 4.6217 0.0806 1.5595 H 1 UNL111111 0.1540 24 H 4.5712 1.7360 0.9142 H 1 UNL111111 0.1372 25 H 6.2215 -0.9952 0.2494 H 1 UNL111111 0.1343 26 H 2.2836 -1.2818 1.6960 H 1 UNL111111 0.1448 27 H 2.6122 -1.3495 -0.0919 H 1 UNL111111 0.1654 28 H 4.4452 0.7931 -1.3305 H 1 UNL111111 0.2608 29 H 8.0902 0.5634 -0.4864 H 1 UNL111111 0.1528 30 H 6.9141 1.6642 -1.2035 H 1 UNL111111 0.1497 31 H 6.9301 1.4014 0.5448 H 1 UNL111111 0.1499 32 H 5.5883 -1.7774 -2.0888 H 1 UNL111111 0.1605 33 H 7.3209 -1.4348 -1.9477 H 1 UNL111111 0.1449 34 H 6.2550 -0.2941 -2.7778 H 1 UNL111111 0.1464 35 H 1.4562 -3.2091 0.6827 H 1 UNL111111 0.1726 36 H -4.3665 -2.6031 -0.3966 H 1 UNL111111 0.3286 37 H -2.5301 -4.6750 0.0115 H 1 UNL111111 0.1690 38 H 1.3853 1.2453 2.1479 H 1 UNL111111 0.3345 39 H -0.1101 -5.0719 0.4679 H 1 UNL111111 0.1491 @BOND 1 34 15 1 2 32 15 1 3 33 15 1 4 15 9 1 5 28 4 1 6 30 14 1 7 6 21 3 8 9 4 1 9 9 14 1 10 9 25 1 11 21 19 1 12 4 8 1 13 29 14 1 14 14 31 1 15 36 5 1 16 19 5 ar 17 19 16 ar 18 5 13 ar 19 16 1 1 20 16 11 ar 21 27 10 1 22 22 7 1 23 13 11 ar 24 13 18 ar 25 37 18 1 26 11 12 ar 27 18 20 ar 28 12 2 1 29 12 17 ar 30 20 39 1 31 20 17 ar 32 2 10 1 33 17 35 1 34 8 7 1 35 8 24 1 36 8 23 1 37 10 7 1 38 10 26 1 39 7 3 1 40 3 38 1