@MOLECULE 1-iodopentane 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3460 -0.0655 0.0066 C.3 1 UNL111111 -0.4380 2 C 3.9738 0.6077 -0.0014 C.3 1 UNL111111 -0.2469 3 C 2.8528 -0.4406 -0.0024 C.3 1 UNL111111 -0.2712 4 C 1.4772 0.2442 -0.0087 C.3 1 UNL111111 -0.2815 5 C 0.3824 -0.8147 -0.0030 C.3 1 UNL111111 -0.2740 6 I -1.6016 0.0561 0.0009 I 1 UNL111111 -0.0863 7 H 5.4788 -0.6963 0.8928 H 1 UNL111111 0.1432 8 H 5.4874 -0.7004 -0.8752 H 1 UNL111111 0.1432 9 H 6.1519 0.6773 0.0085 H 1 UNL111111 0.1422 10 H 3.8733 1.2694 0.8802 H 1 UNL111111 0.1362 11 H 3.8807 1.2654 -0.8867 H 1 UNL111111 0.1363 12 H 2.9562 -1.1022 -0.8829 H 1 UNL111111 0.1401 13 H 2.9508 -1.0952 0.8841 H 1 UNL111111 0.1401 14 H 1.3926 0.9140 0.8704 H 1 UNL111111 0.1517 15 H 1.3943 0.9022 -0.8966 H 1 UNL111111 0.1516 16 H 0.4362 -1.4574 -0.8961 H 1 UNL111111 0.1567 17 H 0.4412 -1.4539 0.8923 H 1 UNL111111 0.1567 @BOND 1 15 4 1 2 16 5 1 3 11 2 1 4 12 3 1 5 8 1 1 6 4 5 1 7 4 3 1 8 4 14 1 9 5 6 1 10 5 17 1 11 3 2 1 12 3 13 1 13 2 1 1 14 2 10 1 15 1 9 1 16 1 7 1