@MOLECULE 2,5,5-trimethyl-1-pyrroline n-oxide 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2296 -1.8596 0.0006 O.3 1 UNL1 -0.4995 2 N 0.2508 -0.6178 0.0006 N.4 1 UNL1 0.2754 3 C -1.0617 0.1378 -0.0001 C.3 1 UNL1 0.1726 4 C -0.6156 1.6269 0.0015 C.3 1 UNL1 -0.3197 5 C 0.9320 1.6170 0.0008 C.3 1 UNL1 -0.2603 6 C 1.3084 0.1648 0.0004 C.3 1 UNL1 -0.0986 7 C -1.8358 -0.2369 -1.2614 C.3 1 UNL1 -0.4722 8 C -1.8390 -0.2394 1.2584 C.3 1 UNL1 -0.4721 9 C 2.7060 -0.3076 -0.0006 C.3 1 UNL1 -0.4152 10 H -1.0080 2.1587 0.8821 H 1 UNL1 0.1534 11 H -1.0093 2.1614 -0.8769 H 1 UNL1 0.1534 12 H 1.3421 2.1372 0.8850 H 1 UNL1 0.1534 13 H 1.3421 2.1375 -0.8832 H 1 UNL1 0.1534 14 H -2.8146 0.2526 -1.2905 H 1 UNL1 0.1558 15 H -1.2912 0.0352 -2.1738 H 1 UNL1 0.1577 16 H -2.0028 -1.3256 -1.3065 H 1 UNL1 0.1793 17 H -2.0072 -1.3282 1.3005 H 1 UNL1 0.1793 18 H -1.2963 0.0299 2.1728 H 1 UNL1 0.1577 19 H -2.8172 0.2514 1.2867 H 1 UNL1 0.1558 20 H 2.7613 -1.4119 0.0072 H 1 UNL1 0.1790 21 H 3.2545 0.0486 0.8839 H 1 UNL1 0.1557 22 H 3.2492 0.0352 -0.8937 H 1 UNL1 0.1558 @BOND 1 15 7 1 2 16 7 1 3 14 7 1 4 7 3 1 5 22 9 1 6 13 5 1 7 11 4 1 8 9 6 1 9 9 20 1 10 9 21 1 11 3 2 1 12 3 4 1 13 3 8 1 14 6 2 1 15 6 5 1 16 1 2 1 17 5 4 1 18 5 12 1 19 4 10 1 20 8 19 1 21 8 17 1 22 8 18 1