@MOLECULE 2-iodopentane 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6008 1.0891 -0.3838 C.3 1 UNL111111 -0.0763 2 H -0.7026 1.0605 -1.4903 H 1 UNL111111 0.1507 3 C -0.2094 2.4847 0.0788 C.3 1 UNL111111 -0.4657 4 C -1.8954 0.6308 0.2871 C.3 1 UNL111111 -0.2975 5 C -2.5318 -0.5753 -0.4170 C.3 1 UNL111111 -0.2521 6 C -3.8853 -0.9111 0.2093 C.3 1 UNL111111 -0.4375 7 I 1.0433 -0.3106 0.0213 I 1 UNL111111 -0.1257 8 H -0.0779 2.5481 1.1672 H 1 UNL111111 0.1617 9 H 0.7212 2.8401 -0.3841 H 1 UNL111111 0.1612 10 H -0.9877 3.2127 -0.1922 H 1 UNL111111 0.1575 11 H -1.7421 0.4082 1.3610 H 1 UNL111111 0.1556 12 H -2.6175 1.4754 0.2762 H 1 UNL111111 0.1526 13 H -2.6567 -0.3664 -1.4964 H 1 UNL111111 0.1362 14 H -1.8697 -1.4602 -0.3561 H 1 UNL111111 0.1456 15 H -3.7884 -1.1328 1.2784 H 1 UNL111111 0.1456 16 H -4.5958 -0.0839 0.1055 H 1 UNL111111 0.1427 17 H -4.3335 -1.7911 -0.2669 H 1 UNL111111 0.1453 @BOND 1 13 5 1 2 2 1 1 3 5 14 1 4 5 6 1 5 5 4 1 6 9 3 1 7 1 7 1 8 1 3 1 9 1 4 1 10 17 6 1 11 10 3 1 12 3 8 1 13 16 6 1 14 6 15 1 15 12 4 1 16 4 11 1