@MOLECULE (2s)-1-(4-iodophenyl)-2-propanamine 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.6191 0.0173 0.1276 I 1 UNL111111 -0.0244 2 N 5.8595 -0.4996 0.2244 N.3 1 UNL111111 -0.6616 3 C 4.4475 -0.1522 0.4924 C.3 1 UNL111111 0.0988 4 C 3.6864 -0.2184 -0.8557 C.3 1 UNL111111 -0.3159 5 C 2.2104 -0.1609 -0.6319 C.ar 1 UNL111111 0.0291 6 C 4.2873 1.2322 1.1419 C.3 1 UNL111111 -0.5081 7 C 1.5306 -1.2881 -0.1621 C.ar 1 UNL111111 -0.1684 8 C 1.5025 1.0158 -0.8854 C.ar 1 UNL111111 -0.1711 9 C 0.1560 -1.2429 0.0578 C.ar 1 UNL111111 -0.1412 10 C 0.1266 1.0719 -0.6701 C.ar 1 UNL111111 -0.1418 11 C -0.5313 -0.0600 -0.1996 C.ar 1 UNL111111 -0.0758 12 H 4.0396 -0.9373 1.1824 H 1 UNL111111 0.1421 13 H 3.9676 -1.1603 -1.3776 H 1 UNL111111 0.1752 14 H 4.0296 0.5924 -1.5261 H 1 UNL111111 0.1518 15 H 3.2290 1.4573 1.3250 H 1 UNL111111 0.1626 16 H 4.6825 2.0303 0.5067 H 1 UNL111111 0.1485 17 H 4.8009 1.2845 2.1067 H 1 UNL111111 0.1479 18 H 2.0796 -2.2093 0.0329 H 1 UNL111111 0.1640 19 H 2.0251 1.8976 -1.2535 H 1 UNL111111 0.1598 20 H 6.3987 -0.5683 1.0711 H 1 UNL111111 0.2510 21 H 6.3058 0.1598 -0.3907 H 1 UNL111111 0.2483 22 H -0.3534 -2.1339 0.4254 H 1 UNL111111 0.1647 23 H -0.4050 2.0014 -0.8754 H 1 UNL111111 0.1645 @BOND 1 14 4 1 2 13 4 1 3 19 8 1 4 8 10 ar 5 8 5 ar 6 23 10 1 7 4 5 1 8 4 3 1 9 10 11 ar 10 5 7 ar 11 21 2 1 12 11 9 ar 13 11 1 1 14 7 18 1 15 7 9 ar 16 9 22 1 17 2 3 1 18 2 20 1 19 3 6 1 20 3 12 1 21 16 6 1 22 6 15 1 23 6 17 1