@MOLECULE 1-(9h-carbazol-4-yloxy)-3-[(1-iodo-3-methyl-2-buten-2-yl)amino]-2-propanol 48 50 0 0 0 SMALL USER_CHARGES @ATOM 1 I 3.6015 1.3703 -0.2691 I 1 UNL111 -0.0793 2 O -3.1010 -1.9934 -0.6714 O.3 1 UNL111 -0.3782 3 O -0.7894 -3.9388 -0.6201 O.3 1 UNL111 -0.5768 4 N -4.7489 2.2701 0.5228 N.ar 1 UNL111 -0.4426 5 N 1.4653 -1.7724 -0.3273 N.pl3 1 UNL111 -0.5206 6 C -3.9657 0.1814 -0.0617 C.ar 1 UNL111 -0.1884 7 C -2.8525 1.0997 -0.0918 C.ar 1 UNL111 -0.0642 8 C -5.1271 0.9447 0.2917 C.ar 1 UNL111 0.1991 9 C -3.3704 2.3831 0.2831 C.ar 1 UNL111 0.1502 10 C -4.1401 -1.1806 -0.2984 C.ar 1 UNL111 0.2817 11 C -0.8541 -2.5500 -0.3493 C.3 1 UNL111 0.1317 12 C -2.1629 -2.2281 0.3856 C.3 1 UNL111 -0.1002 13 C 0.3738 -2.2800 0.5405 C.3 1 UNL111 -0.1362 14 C -6.4018 0.3779 0.3671 C.ar 1 UNL111 -0.2798 15 C -1.5098 0.9868 -0.4311 C.ar 1 UNL111 -0.0967 16 C -5.4054 -1.7607 -0.2375 C.ar 1 UNL111 -0.2848 17 C -2.5611 3.5152 0.3612 C.ar 1 UNL111 -0.2385 18 C -6.5200 -0.9770 0.0846 C.ar 1 UNL111 -0.0516 19 C 2.6364 -1.4265 0.4286 C.2 1 UNL111 0.0441 20 C -0.7036 2.1183 -0.3638 C.ar 1 UNL111 -0.1913 21 C -1.2188 3.3592 0.0354 C.ar 1 UNL111 -0.0992 22 C 3.7118 -2.2351 0.5485 C.2 1 UNL111 -0.0062 23 C 2.5528 -0.0524 0.9987 C.3 1 UNL111 -0.2597 24 C 4.9687 -1.8111 1.2252 C.3 1 UNL111 -0.4493 25 C 3.7340 -3.6056 -0.0412 C.3 1 UNL111 -0.4563 26 H -1.5485 -4.2132 -1.1739 H 1 UNL111 0.3300 27 H -5.3606 3.0174 0.7532 H 1 UNL111 0.3220 28 H 1.6694 -2.4380 -1.0771 H 1 UNL111 0.2748 29 H -0.8000 -2.0024 -1.3226 H 1 UNL111 0.1583 30 H -2.5375 -3.0902 0.9662 H 1 UNL111 0.1465 31 H -2.0760 -1.3489 1.0465 H 1 UNL111 0.1462 32 H 0.1519 -1.5141 1.3131 H 1 UNL111 0.1487 33 H 0.6522 -3.2141 1.0798 H 1 UNL111 0.1456 34 H -7.2657 0.9755 0.6313 H 1 UNL111 0.1650 35 H -1.0976 0.0346 -0.7647 H 1 UNL111 0.1705 36 H -5.5181 -2.8215 -0.4431 H 1 UNL111 0.1716 37 H -2.9628 4.4770 0.6567 H 1 UNL111 0.1574 38 H -7.5032 -1.4482 0.1225 H 1 UNL111 0.1506 39 H 0.3460 2.0436 -0.6421 H 1 UNL111 0.1618 40 H -0.5528 4.2204 0.0811 H 1 UNL111 0.1479 41 H 1.5093 0.3146 1.0526 H 1 UNL111 0.1790 42 H 3.0067 0.0264 1.9985 H 1 UNL111 0.1546 43 H 4.8087 -1.0654 2.0147 H 1 UNL111 0.1519 44 H 5.6692 -1.3671 0.4986 H 1 UNL111 0.1683 45 H 5.4915 -2.6549 1.6971 H 1 UNL111 0.1584 46 H 2.7825 -4.1406 0.0964 H 1 UNL111 0.1612 47 H 4.5130 -4.2420 0.4004 H 1 UNL111 0.1601 48 H 3.9364 -3.5640 -1.1230 H 1 UNL111 0.1628 @BOND 1 29 11 1 2 26 3 1 3 48 25 1 4 28 5 1 5 35 15 1 6 2 10 1 7 2 12 1 8 39 20 1 9 3 11 1 10 36 16 1 11 15 20 ar 12 15 7 ar 13 20 21 ar 14 11 12 1 15 11 13 1 16 5 19 1 17 5 13 1 18 10 16 ar 19 10 6 ar 20 1 23 1 21 16 18 ar 22 7 6 ar 23 7 9 ar 24 6 8 ar 25 25 46 1 26 25 47 1 27 25 22 1 28 21 40 1 29 21 17 ar 30 18 38 1 31 18 14 ar 32 9 17 ar 33 9 4 ar 34 8 14 ar 35 8 4 ar 36 17 37 1 37 14 34 1 38 12 30 1 39 12 31 1 40 19 22 2 41 19 23 1 42 44 24 1 43 4 27 1 44 13 33 1 45 13 32 1 46 22 24 1 47 23 41 1 48 23 42 1 49 24 45 1 50 24 43 1