@MOLECULE isobutanol 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6197 -1.4518 0.1390 C.3 1 UNL1111111 -0.4467 2 C 0.4964 -0.0056 -0.3443 C.3 1 UNL1111111 -0.1139 3 C 1.7554 0.7933 0.0014 C.3 1 UNL1111111 -0.4536 4 C -0.7281 0.6629 0.3053 C.3 1 UNL1111111 -0.0144 5 O -1.9255 0.0167 -0.0773 O.3 1 UNL1111111 -0.5473 6 H 1.3948 -1.9953 -0.4100 H 1 UNL1111111 0.1403 7 H 0.8700 -1.5030 1.2043 H 1 UNL1111111 0.1459 8 H -0.3289 -1.9904 0.0068 H 1 UNL1111111 0.1575 9 H 0.3586 -0.0065 -1.4526 H 1 UNL1111111 0.1305 10 H 2.6464 0.3365 -0.4452 H 1 UNL1111111 0.1487 11 H 1.6961 1.8231 -0.3666 H 1 UNL1111111 0.1424 12 H 1.9220 0.8355 1.0838 H 1 UNL1111111 0.1477 13 H -0.8049 1.7319 0.0417 H 1 UNL1111111 0.1120 14 H -0.7321 0.5527 1.4051 H 1 UNL1111111 0.1430 15 H -1.9976 -0.0352 -1.0488 H 1 UNL1111111 0.3079 @BOND 1 9 2 1 2 15 5 1 3 10 3 1 4 6 1 1 5 11 3 1 6 2 3 1 7 2 1 1 8 2 4 1 9 5 4 1 10 3 12 1 11 8 1 1 12 13 4 1 13 1 7 1 14 4 14 1