@MOLECULE (2s,3s)-(+)-2,3-butanediol 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8377 -0.6105 0.5803 C.3 1 UNL11111111 -0.5046 2 C -0.6834 0.3678 0.3942 C.3 1 UNL11111111 0.1219 3 H -0.7034 1.1860 1.1482 H 1 UNL11111111 0.1413 4 C 0.6831 -0.3688 0.3935 C.3 1 UNL11111111 0.1223 5 H 0.7035 -1.1886 1.1456 H 1 UNL11111111 0.1412 6 C 1.8370 0.6093 0.5814 C.3 1 UNL11111111 -0.5043 7 O 0.8160 -1.0692 -0.8253 O.3 1 UNL11111111 -0.5575 8 O -0.8139 1.0707 -0.8236 O.3 1 UNL11111111 -0.5581 9 H -1.8757 -1.0062 1.6001 H 1 UNL11111111 0.1545 10 H -2.7999 -0.1235 0.3778 H 1 UNL11111111 0.1605 11 H -1.7467 -1.4673 -0.1017 H 1 UNL11111111 0.1649 12 H 1.7467 1.4687 -0.0972 H 1 UNL11111111 0.1648 13 H 1.8745 1.0014 1.6030 H 1 UNL11111111 0.1541 14 H 2.7994 0.1234 0.3777 H 1 UNL11111111 0.1607 15 H 1.0221 -0.4516 -1.5566 H 1 UNL11111111 0.3192 16 H -1.0425 0.4590 -1.5528 H 1 UNL11111111 0.3191 @BOND 1 15 7 1 2 16 8 1 3 7 4 1 4 8 2 1 5 11 1 1 6 12 6 1 7 14 6 1 8 10 1 1 9 4 2 1 10 4 6 1 11 4 5 1 12 2 1 1 13 2 3 1 14 1 9 1 15 6 13 1