@MOLECULE 1-(5-iodo-2-thienyl)-2-propanamine 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.4584 -0.1148 0.1468 I 1 UNL111111 0.0483 2 S 0.6929 -0.8732 -0.4121 S.2 1 UNL111111 0.2289 3 N 5.4628 -0.9002 0.1063 N.3 1 UNL111111 -0.6624 4 C 4.1070 -0.4261 0.4592 C.3 1 UNL111111 0.1012 5 C 3.3793 -0.0973 -0.8724 C.3 1 UNL111111 -0.2985 6 C 1.9783 0.2993 -0.6458 C.ar 1 UNL111111 -0.0919 7 C 4.1349 0.7965 1.3902 C.3 1 UNL111111 -0.5074 8 C 1.4763 1.5683 -0.5777 C.ar 1 UNL111111 -0.2133 9 C 0.0630 1.6218 -0.3287 C.ar 1 UNL111111 -0.1476 10 C -0.4851 0.3796 -0.2153 C.ar 1 UNL111111 -0.2465 11 H 3.5812 -1.2745 0.9697 H 1 UNL111111 0.1437 12 H 3.4656 -0.9814 -1.5468 H 1 UNL111111 0.1789 13 H 3.9300 0.7074 -1.4070 H 1 UNL111111 0.1620 14 H 3.1184 1.1138 1.6552 H 1 UNL111111 0.1639 15 H 4.6269 1.6548 0.9231 H 1 UNL111111 0.1495 16 H 4.6582 0.5755 2.3256 H 1 UNL111111 0.1477 17 H 2.0619 2.4680 -0.6949 H 1 UNL111111 0.1710 18 H 5.9543 -1.2668 0.9041 H 1 UNL111111 0.2519 19 H 6.0232 -0.1795 -0.3166 H 1 UNL111111 0.2489 20 H -0.4640 2.5618 -0.2477 H 1 UNL111111 0.1715 @BOND 1 12 5 1 2 13 5 1 3 5 6 1 4 5 4 1 5 17 8 1 6 6 8 ar 7 6 2 ar 8 8 9 ar 9 2 10 ar 10 9 20 1 11 9 10 ar 12 19 3 1 13 10 1 1 14 3 4 1 15 3 18 1 16 4 11 1 17 4 7 1 18 15 7 1 19 7 14 1 20 7 16 1