@MOLECULE (E)-isohexyl(pentyl)diazene 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.4178 -1.4110 0.2568 C.3 1 UNL11111111 -0.4406 2 C 4.9830 -1.3287 -0.2637 C.3 1 UNL11111111 -0.2463 3 C 4.3170 -0.0192 0.1797 C.3 1 UNL11111111 -0.2712 4 C 2.8696 0.0440 -0.3167 C.3 1 UNL11111111 -0.2736 5 C 2.2135 1.3601 0.1367 C.3 1 UNL11111111 -0.1593 6 N 0.8584 1.4052 -0.4410 N.2 1 UNL11111111 -0.1872 7 N -0.0725 1.5197 0.3758 N.2 1 UNL11111111 -0.1860 8 C -1.4249 1.5576 -0.2117 C.3 1 UNL11111111 -0.1600 9 C -2.2175 0.3710 0.3648 C.3 1 UNL11111111 -0.2710 10 C -3.6333 0.3489 -0.2191 C.3 1 UNL11111111 -0.2880 11 C -4.4631 -0.8167 0.3547 C.3 1 UNL11111111 -0.0547 12 C -5.9427 -0.6201 -0.0033 C.3 1 UNL11111111 -0.4582 13 C -3.9724 -2.1633 -0.1897 C.3 1 UNL11111111 -0.4538 14 H 7.0294 -0.5827 -0.1179 H 1 UNL11111111 0.1422 15 H 6.4503 -1.3755 1.3514 H 1 UNL11111111 0.1427 16 H 6.9002 -2.3437 -0.0557 H 1 UNL11111111 0.1400 17 H 4.9758 -1.4027 -1.3676 H 1 UNL11111111 0.1353 18 H 4.3986 -2.1945 0.1015 H 1 UNL11111111 0.1352 19 H 4.3467 0.0623 1.2827 H 1 UNL11111111 0.1388 20 H 4.8916 0.8444 -0.2048 H 1 UNL11111111 0.1384 21 H 2.8319 -0.0362 -1.4208 H 1 UNL11111111 0.1536 22 H 2.2905 -0.8176 0.0666 H 1 UNL11111111 0.1466 23 H 2.2395 1.4502 1.2443 H 1 UNL11111111 0.1473 24 H 2.7659 2.2349 -0.2765 H 1 UNL11111111 0.1572 25 H -1.8814 2.5242 0.0998 H 1 UNL11111111 0.1568 26 H -1.4360 1.5322 -1.3233 H 1 UNL11111111 0.1476 27 H -1.6910 -0.5761 0.1383 H 1 UNL11111111 0.1482 28 H -2.2509 0.4395 1.4694 H 1 UNL11111111 0.1519 29 H -4.1425 1.3073 -0.0024 H 1 UNL11111111 0.1383 30 H -3.5921 0.2707 -1.3216 H 1 UNL11111111 0.1410 31 H -4.3619 -0.8183 1.4668 H 1 UNL11111111 0.1304 32 H -6.0930 -0.5961 -1.0878 H 1 UNL11111111 0.1447 33 H -6.5581 -1.4339 0.3948 H 1 UNL11111111 0.1425 34 H -6.3329 0.3168 0.4073 H 1 UNL11111111 0.1412 35 H -2.9343 -2.3599 0.0992 H 1 UNL11111111 0.1439 36 H -4.5801 -2.9905 0.1920 H 1 UNL11111111 0.1413 37 H -4.0223 -2.1956 -1.2831 H 1 UNL11111111 0.1448 @BOND 1 21 4 1 2 17 2 1 3 26 8 1 4 30 10 1 5 37 13 1 6 32 12 1 7 6 5 1 8 6 7 2 9 4 22 1 10 4 5 1 11 4 3 1 12 24 5 1 13 2 18 1 14 2 3 1 15 2 1 1 16 10 29 1 17 10 11 1 18 10 9 1 19 8 25 1 20 8 9 1 21 8 7 1 22 20 3 1 23 13 35 1 24 13 36 1 25 13 11 1 26 14 1 1 27 16 1 1 28 12 11 1 29 12 33 1 30 12 34 1 31 5 23 1 32 27 9 1 33 3 19 1 34 1 15 1 35 11 31 1 36 9 28 1