@MOLECULE isopropyl nitrite 13 12 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2975 -0.2199 -0.3548 O.2 1 UNL11 -0.3022 2 O 2.4028 -0.0630 -0.1646 O.2 1 UNL11 -0.1517 3 N 1.3905 0.0946 0.4172 N.2 1 UNL11 0.1827 4 C -0.9368 0.0164 0.3613 C.3 1 UNL11 0.1455 5 C -1.4813 1.3525 -0.1311 C.3 1 UNL11 -0.4873 6 C -1.8157 -1.1630 -0.0428 C.3 1 UNL11 -0.4790 7 H -0.7501 0.0310 1.4579 H 1 UNL11 0.1359 8 H -2.4671 1.5649 0.2956 H 1 UNL11 0.1548 9 H -0.8123 2.1787 0.1402 H 1 UNL11 0.1588 10 H -1.5800 1.3655 -1.2244 H 1 UNL11 0.1629 11 H -2.8303 -1.0584 0.3561 H 1 UNL11 0.1562 12 H -1.4031 -2.1112 0.3236 H 1 UNL11 0.1593 13 H -1.8927 -1.2481 -1.1352 H 1 UNL11 0.1642 @BOND 1 1 3 1 2 1 4 1 3 2 3 2 4 4 5 1 5 4 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 1 12 6 13 1