@MOLECULE 4-{(2s)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-3-iodo-1h-indole-2-carbonitrile 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9731 1.0779 2.6337 O.3 1 UNL11 -0.5689 2 C -2.0350 0.6992 1.6471 C.3 1 UNL11 0.1376 3 C -2.7338 0.4737 0.2910 C.3 1 UNL11 -0.1718 4 N -3.5980 -0.7162 0.4396 N.3 1 UNL11 -0.5923 5 C -4.5495 -0.9395 -0.6807 C.3 1 UNL11 0.2835 6 C -3.8515 -0.9911 -2.0556 C.3 1 UNL11 -0.5088 7 C -5.2332 -2.2971 -0.4104 C.3 1 UNL11 -0.4797 8 C -1.0573 1.8892 1.5720 C.3 1 UNL11 -0.0761 9 O -0.0293 1.3718 0.7224 O.3 1 UNL11 -0.3314 10 C 1.0248 2.1601 0.4425 C.ar 1 UNL11 0.3367 11 C 1.2109 3.4492 0.9130 C.ar 1 UNL11 -0.3730 12 C 2.3552 4.1869 0.5443 C.ar 1 UNL11 -0.0016 13 C 3.3216 3.6661 -0.2885 C.ar 1 UNL11 -0.2993 14 C 3.1264 2.3544 -0.7591 C.ar 1 UNL11 0.1907 15 C 1.9819 1.5591 -0.4126 C.ar 1 UNL11 -0.1918 16 N 3.9414 1.6104 -1.5928 N.ar 1 UNL11 -0.3408 17 C 3.3442 0.3504 -1.7857 C.ar 1 UNL11 0.0110 18 C 2.1485 0.3047 -1.0711 C.ar 1 UNL11 -0.0603 19 C 3.9581 -0.6273 -2.5927 C.1 1 UNL11 0.1119 20 C -5.6104 0.1749 -0.6738 C.3 1 UNL11 -0.4713 21 I 0.8966 -1.3527 -1.0243 I 1 UNL11 0.0680 22 N 4.4573 -1.4364 -3.2535 N.1 1 UNL11 -0.2002 23 H -3.8060 0.5668 2.4913 H 1 UNL11 0.3487 24 H -1.5184 -0.2195 2.0071 H 1 UNL11 0.1392 25 H -3.3629 1.3565 0.0446 H 1 UNL11 0.1534 26 H -1.9790 0.3791 -0.5185 H 1 UNL11 0.1441 27 H -1.5124 2.7830 1.1173 H 1 UNL11 0.1418 28 H -0.6471 2.1327 2.5673 H 1 UNL11 0.1511 29 H -3.0271 -1.5491 0.5932 H 1 UNL11 0.2628 30 H -3.0525 -1.7389 -2.0737 H 1 UNL11 0.1524 31 H -4.5632 -1.2511 -2.8454 H 1 UNL11 0.1528 32 H -3.4101 -0.0262 -2.3238 H 1 UNL11 0.1522 33 H -5.6974 -2.3084 0.5835 H 1 UNL11 0.1596 34 H -6.0192 -2.4947 -1.1452 H 1 UNL11 0.1504 35 H -4.5228 -3.1279 -0.4545 H 1 UNL11 0.1459 36 H -5.1988 1.1375 -0.9910 H 1 UNL11 0.1451 37 H -6.4395 -0.0666 -1.3457 H 1 UNL11 0.1476 38 H -6.0230 0.3094 0.3340 H 1 UNL11 0.1591 39 H 0.4867 3.9158 1.5725 H 1 UNL11 0.1729 40 H 2.4662 5.1998 0.9377 H 1 UNL11 0.1504 41 H 4.1993 4.2327 -0.5740 H 1 UNL11 0.1695 42 H 4.8065 1.8998 -1.9933 H 1 UNL11 0.3289 @BOND 1 1 2 1 2 1 23 1 3 2 3 1 4 2 8 1 5 2 24 1 6 3 4 1 7 3 25 1 8 3 26 1 9 4 5 1 10 4 29 1 11 5 6 1 12 5 7 1 13 5 20 1 14 6 30 1 15 6 31 1 16 6 32 1 17 7 33 1 18 7 34 1 19 7 35 1 20 8 9 1 21 8 27 1 22 8 28 1 23 9 10 1 24 10 11 ar 25 10 15 ar 26 11 12 ar 27 11 39 1 28 12 13 ar 29 12 40 1 30 13 14 ar 31 13 41 1 32 14 15 ar 33 14 16 ar 34 15 18 ar 35 16 17 ar 36 16 42 1 37 17 18 ar 38 17 19 1 39 18 21 1 40 19 22 3 41 20 36 1 42 20 37 1 43 20 38 1