@MOLECULE dh2975000 [rtecs] 15 15 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.5390 -0.1837 -0.0026 I 1 UNL111111 0.0279 2 O 1.1422 2.3269 -1.1372 O.3 1 UNL111111 -0.5357 3 O 1.0091 2.4772 1.0852 O.2 1 UNL111111 -0.4635 4 C 1.4955 0.3512 0.0420 C.ar 1 UNL111111 -0.1195 5 C 0.5262 -0.6484 0.0136 C.ar 1 UNL111111 -0.0311 6 C 2.8496 0.0059 0.0370 C.ar 1 UNL111111 -0.0935 7 C 0.8991 -1.9913 -0.0108 C.ar 1 UNL111111 -0.1651 8 C 3.2271 -1.3335 0.0111 C.ar 1 UNL111111 -0.1520 9 C 2.2516 -2.3289 -0.0112 C.ar 1 UNL111111 -0.1083 10 C 1.1791 1.7959 0.1108 C.2 1 UNL111111 0.6264 11 H 3.6113 0.7884 0.0532 H 1 UNL111111 0.1682 12 H 0.1552 -2.7892 -0.0308 H 1 UNL111111 0.1697 13 H 4.2831 -1.6023 0.0080 H 1 UNL111111 0.1633 14 H 2.5458 -3.3790 -0.0300 H 1 UNL111111 0.1589 15 H 0.9300 3.2957 -1.1466 H 1 UNL111111 0.3542 @BOND 1 15 2 1 2 2 10 1 3 12 7 1 4 14 9 1 5 9 7 ar 6 9 8 ar 7 7 5 ar 8 1 5 1 9 13 8 1 10 8 6 ar 11 5 4 ar 12 6 4 ar 13 6 11 1 14 4 10 1 15 10 3 2