@MOLECULE 2-methyl-1-nitropropane 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2034 -0.0437 -0.2697 C.3 1 UNL111111111 -0.0593 2 C -2.4852 -0.7581 0.1649 C.3 1 UNL111111111 -0.4570 3 C -1.3618 1.4711 -0.1332 C.3 1 UNL111111111 -0.4604 4 C -0.0339 -0.5484 0.6010 C.3 1 UNL111111111 -0.2621 5 N 1.2781 -0.1484 0.0229 N.pl3 1 UNL111111111 0.6085 6 O 2.1085 0.3175 0.7827 O.2 1 UNL111111111 -0.4035 7 O 1.4624 -0.3214 -1.1681 O.2 1 UNL111111111 -0.4006 8 H -0.9919 -0.2941 -1.3425 H 1 UNL111111111 0.1625 9 H -3.3447 -0.4113 -0.4232 H 1 UNL111111111 0.1551 10 H -2.4182 -1.8424 0.0220 H 1 UNL111111111 0.1475 11 H -2.7224 -0.5711 1.2182 H 1 UNL111111111 0.1490 12 H -0.4560 2.0047 -0.4479 H 1 UNL111111111 0.1569 13 H -2.1824 1.8405 -0.7606 H 1 UNL111111111 0.1537 14 H -1.5812 1.7715 0.8973 H 1 UNL111111111 0.1496 15 H -0.1106 -0.1559 1.6401 H 1 UNL111111111 0.1821 16 H -0.0489 -1.6600 0.6713 H 1 UNL111111111 0.1780 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 2 7 1 8 1 8 2 9 1 9 2 10 1 10 2 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1