@MOLECULE 2-methyl-2-nitrobutane 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.6799 0.4137 -0.0175 C.3 1 UNL111111111 -0.4317 2 C 1.2279 0.8786 0.0188 C.3 1 UNL111111111 -0.2827 3 C 0.2287 -0.2943 0.0079 C.3 1 UNL111111111 0.1436 4 C 0.3567 -1.1503 -1.2527 C.3 1 UNL111111111 -0.4741 5 C 0.3293 -1.1479 1.2733 C.3 1 UNL111111111 -0.4745 6 N -1.1847 0.2861 -0.0062 N.pl3 1 UNL111111111 0.5536 7 O -2.1163 -0.4989 -0.0226 O.2 1 UNL111111111 -0.3996 8 O -1.3200 1.4962 0.0019 O.2 1 UNL111111111 -0.4021 9 H 3.3625 1.2720 0.0390 H 1 UNL111111111 0.1496 10 H 2.9231 -0.2452 0.8234 H 1 UNL111111111 0.1451 11 H 2.9170 -0.1225 -0.9434 H 1 UNL111111111 0.1454 12 H 1.0561 1.5093 0.9166 H 1 UNL111111111 0.1611 13 H 1.0278 1.5515 -0.8420 H 1 UNL111111111 0.1626 14 H 1.3151 -1.6842 -1.2689 H 1 UNL111111111 0.1644 15 H -0.4372 -1.9107 -1.3119 H 1 UNL111111111 0.1748 16 H 0.3024 -0.5478 -2.1686 H 1 UNL111111111 0.1627 17 H 0.2682 -0.5420 2.1863 H 1 UNL111111111 0.1628 18 H -0.4736 -1.8992 1.3227 H 1 UNL111111111 0.1749 19 H 1.2811 -1.6924 1.3054 H 1 UNL111111111 0.1641 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 2 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 4 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 5 19 1