@MOLECULE (3s,3's)-n~1~,n~1~'-1,4-butanediyldi(1,3-butanediamine) 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.9390 -1.0431 1.0733 N.3 1 UNL1111 -0.6613 2 C -6.8670 -0.1915 -0.1339 C.3 1 UNL1111 0.0841 3 C -8.0468 0.7956 -0.2312 C.3 1 UNL1111 -0.5077 4 C -5.5400 0.5925 -0.1390 C.3 1 UNL1111 -0.3103 5 C -4.3419 -0.3707 -0.1824 C.3 1 UNL1111 -0.1035 6 N -3.0917 0.4227 -0.1364 N.3 1 UNL1111 -0.5551 7 C -1.8977 -0.4537 -0.1869 C.3 1 UNL1111 -0.1052 8 C -0.6371 0.4288 -0.1668 C.3 1 UNL1111 -0.2881 9 C 0.6208 -0.4416 -0.1603 C.3 1 UNL1111 -0.2858 10 C 1.8762 0.4483 -0.1485 C.3 1 UNL1111 -0.1073 11 N 3.0773 -0.4144 -0.2467 N.3 1 UNL1111 -0.5503 12 C 4.3221 0.3844 -0.1565 C.3 1 UNL1111 -0.1087 13 C 5.5257 -0.5680 -0.0901 C.3 1 UNL1111 -0.3608 14 C 6.8635 0.2083 -0.1232 C.3 1 UNL1111 0.0871 15 C 8.0226 -0.7749 -0.3438 C.3 1 UNL1111 -0.4637 16 N 7.1260 0.9773 1.1123 N.3 1 UNL1111 -0.6588 17 H -6.7434 -0.5273 1.9153 H 1 UNL1111 0.2509 18 H -7.8357 -1.4904 1.1654 H 1 UNL1111 0.2493 19 H -6.8944 -0.8860 -1.0153 H 1 UNL1111 0.1384 20 H -8.0511 1.5041 0.6029 H 1 UNL1111 0.1501 21 H -7.9978 1.3800 -1.1560 H 1 UNL1111 0.1537 22 H -9.0073 0.2711 -0.2302 H 1 UNL1111 0.1468 23 H -5.5153 1.2784 -1.0044 H 1 UNL1111 0.1385 24 H -5.4605 1.2365 0.7582 H 1 UNL1111 0.1569 25 H -4.3655 -1.0377 0.7110 H 1 UNL1111 0.1621 26 H -4.4074 -1.0289 -1.0736 H 1 UNL1111 0.1102 27 H -3.0691 1.1083 -0.8884 H 1 UNL1111 0.2479 28 H -1.9177 -1.1077 0.7132 H 1 UNL1111 0.1431 29 H -1.8876 -1.1212 -1.0745 H 1 UNL1111 0.1099 30 H -0.6305 1.1080 -1.0389 H 1 UNL1111 0.1370 31 H -0.6645 1.0852 0.7259 H 1 UNL1111 0.1552 32 H 0.6191 -1.1171 0.7147 H 1 UNL1111 0.1383 33 H 0.6458 -1.1003 -1.0511 H 1 UNL1111 0.1549 34 H 1.8716 1.1247 -1.0325 H 1 UNL1111 0.1422 35 H 1.8800 1.0933 0.7557 H 1 UNL1111 0.1109 36 H 3.0598 -1.1434 0.4636 H 1 UNL1111 0.2517 37 H 4.3830 1.0125 -1.0744 H 1 UNL1111 0.1449 38 H 4.3241 1.0778 0.7112 H 1 UNL1111 0.1045 39 H 5.4733 -1.2021 0.8110 H 1 UNL1111 0.1403 40 H 5.4792 -1.2682 -0.9486 H 1 UNL1111 0.1668 41 H 6.8421 0.9500 -0.9654 H 1 UNL1111 0.1410 42 H 7.9579 -1.2488 -1.3278 H 1 UNL1111 0.1474 43 H 8.9857 -0.2485 -0.2890 H 1 UNL1111 0.1631 44 H 8.0406 -1.5667 0.4113 H 1 UNL1111 0.1445 45 H 6.3672 1.5964 1.3412 H 1 UNL1111 0.2467 46 H 7.3089 0.3815 1.9018 H 1 UNL1111 0.2484 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 4 1 6 2 19 1 7 3 20 1 8 3 21 1 9 3 22 1 10 4 5 1 11 4 23 1 12 4 24 1 13 5 6 1 14 5 25 1 15 5 26 1 16 6 7 1 17 6 27 1 18 7 8 1 19 7 28 1 20 7 29 1 21 8 9 1 22 8 30 1 23 8 31 1 24 9 10 1 25 9 32 1 26 9 33 1 27 10 11 1 28 10 34 1 29 10 35 1 30 11 12 1 31 11 36 1 32 12 13 1 33 12 37 1 34 12 38 1 35 13 14 1 36 13 39 1 37 13 40 1 38 14 15 1 39 14 16 1 40 14 41 1 41 15 42 1 42 15 43 1 43 15 44 1 44 16 45 1 45 16 46 1