@MOLECULE isohexyl(oxomethyl)azanide 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4863 0.2356 -0.3524 C.3 1 UNL1 -0.0566 2 C -3.8606 -0.3951 -0.0923 C.3 1 UNL1 -0.4582 3 C -2.4203 1.6209 0.3001 C.3 1 UNL1 -0.4538 4 C -1.3844 -0.6933 0.1952 C.3 1 UNL1 -0.2856 5 C 0.0083 -0.2312 -0.2412 C.3 1 UNL1 -0.3119 6 C 1.0767 -1.2121 0.2772 C.3 1 UNL1 -0.0125 7 N 2.4166 -0.8103 -0.0709 N.2 1 UNL1 -0.5262 8 C 3.0435 0.2412 -0.0035 C.1 1 UNL1 0.5541 9 O 3.8582 1.0833 -0.0640 O.2 1 UNL1 -0.3363 10 H -2.3475 0.3492 -1.4548 H 1 UNL1 0.1316 11 H -4.6667 0.2432 -0.4711 H 1 UNL1 0.1455 12 H -3.9564 -1.3683 -0.5843 H 1 UNL1 0.1423 13 H -4.0383 -0.5443 0.9781 H 1 UNL1 0.1454 14 H -2.4982 1.5561 1.3906 H 1 UNL1 0.1455 15 H -1.4827 2.1350 0.0640 H 1 UNL1 0.1429 16 H -3.2384 2.2613 -0.0488 H 1 UNL1 0.1449 17 H -1.4482 -0.7355 1.2985 H 1 UNL1 0.1412 18 H -1.5669 -1.7265 -0.1591 H 1 UNL1 0.1398 19 H 0.0624 -0.1597 -1.3449 H 1 UNL1 0.1554 20 H 0.2080 0.7887 0.1381 H 1 UNL1 0.1483 21 H 0.9917 -1.3377 1.3833 H 1 UNL1 0.1412 22 H 0.9293 -2.2252 -0.1773 H 1 UNL1 0.1630 @BOND 1 10 1 1 2 19 5 1 3 12 2 1 4 11 2 1 5 1 2 1 6 1 4 1 7 1 3 1 8 5 20 1 9 5 4 1 10 5 6 1 11 22 6 1 12 18 4 1 13 2 13 1 14 7 8 2 15 7 6 1 16 9 8 2 17 16 3 1 18 15 3 1 19 4 17 1 20 6 21 1 21 3 14 1