@MOLECULE (E)-[(1S)-1-methylbutyl]-(1-methylcyclopropyl)diazene 29 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.4118 -0.1822 -0.8346 C.3 1 UNL1 -0.3134 2 C -3.4378 0.2056 0.6198 C.3 1 UNL1 -0.3140 3 C -2.1853 -0.4481 0.0370 C.3 1 UNL1 0.1124 4 C -1.8410 -1.8621 0.4225 C.3 1 UNL1 -0.4501 5 N -1.1097 0.5020 -0.1954 N.2 1 UNL1 -0.1857 6 N 0.0539 0.0852 -0.0643 N.2 1 UNL1 -0.1966 7 C 1.1435 1.0576 -0.3169 C.3 1 UNL1 0.0249 8 H 1.2721 1.1413 -1.4297 H 1 UNL1 0.1504 9 C 0.8808 2.4495 0.2705 C.3 1 UNL1 -0.4696 10 C 2.4186 0.4451 0.3045 C.3 1 UNL1 -0.2791 11 C 2.8777 -0.7958 -0.4713 C.3 1 UNL1 -0.2466 12 C 4.1434 -1.3863 0.1493 C.3 1 UNL1 -0.4374 13 H -3.9967 -1.0246 -1.1894 H 1 UNL1 0.1598 14 H -3.3651 0.5954 -1.5945 H 1 UNL1 0.1687 15 H -3.4090 1.2585 0.8934 H 1 UNL1 0.1685 16 H -4.0413 -0.3539 1.3272 H 1 UNL1 0.1600 17 H -2.7319 -2.4763 0.5938 H 1 UNL1 0.1521 18 H -1.2416 -2.3496 -0.3608 H 1 UNL1 0.1646 19 H -1.2351 -1.8838 1.3412 H 1 UNL1 0.1660 20 H -0.0406 2.8846 -0.1405 H 1 UNL1 0.1651 21 H 0.7577 2.4074 1.3590 H 1 UNL1 0.1554 22 H 1.7023 3.1377 0.0490 H 1 UNL1 0.1505 23 H 3.2212 1.2047 0.3162 H 1 UNL1 0.1406 24 H 2.2293 0.1793 1.3623 H 1 UNL1 0.1507 25 H 2.0675 -1.5530 -0.4738 H 1 UNL1 0.1505 26 H 3.0567 -0.5410 -1.5321 H 1 UNL1 0.1306 27 H 4.4713 -2.2787 -0.3951 H 1 UNL1 0.1396 28 H 4.9706 -0.6687 0.1361 H 1 UNL1 0.1388 29 H 3.9766 -1.6810 1.1916 H 1 UNL1 0.1432 @BOND 1 14 1 1 2 26 11 1 3 8 7 1 4 13 1 1 5 1 3 1 6 1 2 1 7 25 11 1 8 11 12 1 9 11 10 1 10 27 12 1 11 18 4 1 12 7 6 1 13 7 9 1 14 7 10 1 15 5 6 2 16 5 3 1 17 20 9 1 18 3 4 1 19 3 2 1 20 22 9 1 21 28 12 1 22 12 29 1 23 9 21 1 24 10 23 1 25 10 24 1 26 4 17 1 27 4 19 1 28 2 15 1 29 2 16 1