@MOLECULE (z)-2-diazonio-1-{[(2s)-1-methoxy-1-oxo-2-hexanyl]amino}ethenolate 30 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3755 -1.7716 0.8770 O.3 1 UNL1 -0.4065 2 O -2.0967 -1.2607 -1.3004 O.2 1 UNL1 -0.4874 3 O 2.5789 -0.3217 -1.7108 O.2 1 UNL1 -0.5442 4 N 0.5733 -0.7027 -0.7995 N.am 1 UNL1 -0.5984 5 N 3.8282 -0.1671 0.7214 N.3 1 UNL1 0.3910 6 N 4.9286 0.0768 0.8021 N.3 1 UNL1 -0.1169 7 C -0.6080 0.6832 0.9288 C.3 1 UNL1 -0.3082 8 C -1.1584 1.6765 -0.0995 C.3 1 UNL1 -0.2690 9 C -0.3500 -0.7169 0.3291 C.3 1 UNL1 0.0249 10 C -1.4621 3.0243 0.5671 C.3 1 UNL1 -0.2488 11 C -1.6831 -1.2692 -0.1722 C.2 1 UNL1 0.5719 12 C -2.0332 4.0119 -0.4497 C.3 1 UNL1 -0.4387 13 C 1.9323 -0.4669 -0.6871 C.2 1 UNL1 0.6464 14 C -3.6711 -2.2864 0.5757 C.3 1 UNL1 -0.1674 15 C 2.5609 -0.4346 0.6356 C.3 1 UNL1 -0.5275 16 H 0.3365 1.0777 1.3541 H 1 UNL1 0.1566 17 H -1.3101 0.5876 1.7812 H 1 UNL1 0.1561 18 H 0.0489 -1.4017 1.1306 H 1 UNL1 0.1696 19 H -2.0719 1.2775 -0.5804 H 1 UNL1 0.1464 20 H -0.4306 1.8198 -0.9229 H 1 UNL1 0.1538 21 H -0.5407 3.4392 1.0188 H 1 UNL1 0.1352 22 H -2.1759 2.8864 1.4008 H 1 UNL1 0.1309 23 H 0.1574 -0.6541 -1.7315 H 1 UNL1 0.3449 24 H -1.3295 4.1938 -1.2707 H 1 UNL1 0.1480 25 H -2.2527 4.9794 0.0150 H 1 UNL1 0.1405 26 H -2.9649 3.6407 -0.8917 H 1 UNL1 0.1449 27 H -4.0326 -2.6287 1.5521 H 1 UNL1 0.1476 28 H -3.5907 -3.1160 -0.1354 H 1 UNL1 0.1451 29 H -4.3070 -1.4925 0.1681 H 1 UNL1 0.1425 30 H 1.9896 -0.6570 1.5302 H 1 UNL1 0.2167 @BOND 1 23 4 1 2 3 13 2 3 2 11 2 4 24 12 1 5 20 8 1 6 26 12 1 7 4 13 am 8 4 9 1 9 13 15 1 10 19 8 1 11 12 25 1 12 12 10 1 13 11 9 1 14 11 1 1 15 28 14 1 16 8 10 1 17 8 7 1 18 29 14 1 19 9 7 1 20 9 18 1 21 10 21 1 22 10 22 1 23 14 1 1 24 14 27 1 25 15 5 1 26 15 30 1 27 5 6 1 28 7 16 1 29 7 17 1