@MOLECULE n,n'-diisopropylbutylenediamine 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.0758 0.1604 -0.4557 N.3 1 UNL1111111111 -0.5799 2 N 3.0754 0.1538 0.4566 N.3 1 UNL1111111111 -0.5802 3 C -0.6239 0.2030 -0.4423 C.3 1 UNL1111111111 -0.2844 4 C 0.6239 0.2206 0.4424 C.3 1 UNL1111111111 -0.2854 5 C -1.8920 0.2093 0.4310 C.3 1 UNL1111111111 -0.1022 6 C 1.8924 0.2289 -0.4296 C.3 1 UNL1111111111 -0.1020 7 C -4.3517 0.0769 0.3021 C.3 1 UNL1111111111 0.1008 8 C 4.3509 0.0748 -0.3020 C.3 1 UNL1111111111 0.1011 9 C -4.6755 -1.4113 0.5218 C.3 1 UNL1111111111 -0.4551 10 C -5.4753 0.7479 -0.5055 C.3 1 UNL1111111111 -0.4798 11 C 4.6761 -1.4128 -0.5243 C.3 1 UNL1111111111 -0.4550 12 C 5.4751 0.7462 0.5047 C.3 1 UNL1111111111 -0.4803 13 H -0.6264 1.0691 -1.1285 H 1 UNL1111111111 0.1354 14 H -0.6316 -0.6958 -1.0908 H 1 UNL1111111111 0.1570 15 H 0.6133 1.0976 1.1142 H 1 UNL1111111111 0.1351 16 H 0.6437 -0.6674 1.1063 H 1 UNL1111111111 0.1575 17 H -1.9067 -0.6943 1.0800 H 1 UNL1111111111 0.1417 18 H -1.8934 1.0935 1.1034 H 1 UNL1111111111 0.1069 19 H 1.9027 1.1226 -1.0888 H 1 UNL1111111111 0.1069 20 H 1.8997 -0.6651 -1.0920 H 1 UNL1111111111 0.1418 21 H -4.2697 0.5840 1.2984 H 1 UNL1111111111 0.1080 22 H 4.2671 0.5829 -1.2975 H 1 UNL1111111111 0.1085 23 H -3.0763 0.9412 -1.1060 H 1 UNL1111111111 0.2569 24 H 3.0813 0.9203 1.1232 H 1 UNL1111111111 0.2570 25 H -5.6369 -1.5410 1.0236 H 1 UNL1111111111 0.1375 26 H -4.7106 -1.9435 -0.4374 H 1 UNL1111111111 0.1597 27 H -3.9026 -1.8998 1.1241 H 1 UNL1111111111 0.1459 28 H -5.3015 1.8207 -0.6313 H 1 UNL1111111111 0.1413 29 H -6.4425 0.6249 -0.0071 H 1 UNL1111111111 0.1513 30 H -5.5624 0.3012 -1.5040 H 1 UNL1111111111 0.1591 31 H 5.6339 -1.5407 -1.0335 H 1 UNL1111111111 0.1373 32 H 4.7189 -1.9454 0.4342 H 1 UNL1111111111 0.1594 33 H 3.8990 -1.9022 -1.1208 H 1 UNL1111111111 0.1462 34 H 5.3040 1.8200 0.6249 H 1 UNL1111111111 0.1414 35 H 6.4428 0.6183 0.0084 H 1 UNL1111111111 0.1515 36 H 5.5599 0.3038 1.5052 H 1 UNL1111111111 0.1589 @BOND 1 1 5 1 2 1 7 1 3 1 23 1 4 2 6 1 5 2 8 1 6 2 24 1 7 3 4 1 8 3 5 1 9 3 13 1 10 3 14 1 11 4 6 1 12 4 15 1 13 4 16 1 14 5 17 1 15 5 18 1 16 6 19 1 17 6 20 1 18 7 9 1 19 7 10 1 20 7 21 1 21 8 11 1 22 8 12 1 23 8 22 1 24 9 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1