@MOLECULE 4-(2-amino-2-methylpropyl)-2-iodoaniline 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.3372 -0.6757 -0.0100 I 1 UNL111111 -0.0260 2 N 5.0298 -1.3293 0.3875 N.3 1 UNL111111 -0.6862 3 N -1.7221 2.5731 -0.5475 N.pl3 1 UNL111111 -0.6215 4 C 3.8240 -0.6671 -0.1721 C.3 1 UNL111111 0.2831 5 C 3.0336 -0.1244 1.0535 C.3 1 UNL111111 -0.3053 6 C 2.9646 -1.6566 -0.9848 C.3 1 UNL111111 -0.5157 7 C 4.2868 0.4825 -1.0805 C.3 1 UNL111111 -0.4746 8 C 1.7733 0.5752 0.6656 C.ar 1 UNL111111 -0.0599 9 C 0.5827 -0.1398 0.5456 C.ar 1 UNL111111 -0.1048 10 C 1.7693 1.9537 0.4248 C.ar 1 UNL111111 -0.0840 11 C -0.5920 0.5032 0.1682 C.ar 1 UNL111111 -0.1948 12 C 0.6049 2.6036 0.0543 C.ar 1 UNL111111 -0.2788 13 C -0.6044 1.8850 -0.0917 C.ar 1 UNL111111 0.2486 14 H 2.8204 -0.9596 1.7506 H 1 UNL111111 0.1511 15 H 3.7048 0.5513 1.6269 H 1 UNL111111 0.1684 16 H 2.0990 -1.1496 -1.4288 H 1 UNL111111 0.1648 17 H 3.5340 -2.1002 -1.8063 H 1 UNL111111 0.1475 18 H 2.5816 -2.4690 -0.3615 H 1 UNL111111 0.1468 19 H 3.4305 1.0580 -1.4513 H 1 UNL111111 0.1579 20 H 4.8391 0.1167 -1.9515 H 1 UNL111111 0.1435 21 H 4.9448 1.1705 -0.5358 H 1 UNL111111 0.1580 22 H 5.7202 -1.5281 -0.3151 H 1 UNL111111 0.2522 23 H 4.8093 -2.1789 0.8786 H 1 UNL111111 0.2507 24 H 0.5951 -1.2125 0.7524 H 1 UNL111111 0.1643 25 H 2.6957 2.5207 0.5310 H 1 UNL111111 0.1582 26 H 0.6180 3.6736 -0.1360 H 1 UNL111111 0.1620 27 H -2.6362 2.1872 -0.4542 H 1 UNL111111 0.2988 28 H -1.6913 3.5722 -0.5561 H 1 UNL111111 0.2959 @BOND 1 20 7 1 2 17 6 1 3 19 7 1 4 16 6 1 5 7 21 1 6 7 4 1 7 6 18 1 8 6 4 1 9 28 3 1 10 3 27 1 11 3 13 1 12 22 2 1 13 4 2 1 14 4 5 1 15 26 12 1 16 13 12 ar 17 13 11 ar 18 1 11 1 19 12 10 ar 20 11 9 ar 21 2 23 1 22 10 25 1 23 10 8 ar 24 9 8 ar 25 9 24 1 26 8 5 1 27 5 15 1 28 5 14 1