@MOLECULE [(1S,2S)-2-methyl-1-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)butyl]ammonium 24 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.3106 -1.9521 1.2358 N.4 1 UNL1 -0.2717 2 N -1.2717 1.2560 0.4765 N.ar 1 UNL1 -0.2634 3 N -1.6288 -0.7915 -0.3651 N.ar 1 UNL1 -0.3756 4 N -2.4510 1.2027 -0.1159 N.ar 1 UNL1 -0.1125 5 N -2.6691 -0.0205 -0.6075 N.ar 1 UNL1 -0.0918 6 C 1.7217 -0.4637 -0.2397 C.3 1 UNL1 -0.1221 7 C 0.5854 -0.4767 0.8075 C.3 1 UNL1 0.0588 8 C 1.9666 0.9979 -0.6678 C.3 1 UNL1 -0.2547 9 C 1.3914 -1.3092 -1.4685 C.3 1 UNL1 -0.4733 10 C -0.7165 0.0029 0.3273 C.ar 1 UNL1 -0.1138 11 C 2.4095 1.8840 0.4932 C.3 1 UNL1 -0.4475 12 H 2.6566 -0.8500 0.2337 H 1 UNL1 0.1320 13 H 0.9075 0.0896 1.7247 H 1 UNL1 0.1761 14 H 2.7287 1.0192 -1.4709 H 1 UNL1 0.1455 15 H 1.0393 1.4144 -1.1229 H 1 UNL1 0.1773 16 H 0.3871 -1.0703 -1.8658 H 1 UNL1 0.1953 17 H 2.0934 -1.1093 -2.2896 H 1 UNL1 0.1648 18 H 1.4287 -2.3826 -1.2784 H 1 UNL1 0.1287 19 H 1.1743 -2.4601 1.4297 H 1 UNL1 0.2743 20 H -0.2103 -2.4159 0.4535 H 1 UNL1 0.3290 21 H -0.3064 -1.9626 2.0601 H 1 UNL1 0.2931 22 H 1.5662 2.1324 1.1542 H 1 UNL1 0.1621 23 H 2.7955 2.8438 0.1235 H 1 UNL1 0.1569 24 H 3.2001 1.4253 1.0918 H 1 UNL1 0.1326 @BOND 1 17 9 1 2 16 9 1 3 14 8 1 4 9 18 1 5 9 6 1 6 15 8 1 7 8 6 1 8 8 11 1 9 5 3 ar 10 5 4 ar 11 3 10 ar 12 6 12 1 13 6 7 1 14 4 2 ar 15 23 11 1 16 10 2 ar 17 10 7 1 18 20 1 1 19 11 24 1 20 11 22 1 21 7 1 1 22 7 13 1 23 1 19 1 24 1 21 1