@MOLECULE 1,8-diaminooctane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 N -5.6724 -0.2412 0.0061 N.3 1 UNL11111111 -0.6389 2 N 5.6202 0.2937 0.0893 N.3 1 UNL11111111 -0.6482 3 C -0.6353 -0.4131 -0.0116 C.3 1 UNL11111111 -0.2719 4 C 0.6412 0.4374 -0.0133 C.3 1 UNL11111111 -0.2674 5 C -1.8828 0.4788 0.0029 C.3 1 UNL11111111 -0.2683 6 C 1.8822 -0.4639 -0.0248 C.3 1 UNL11111111 -0.2752 7 C -3.1526 -0.3775 0.0071 C.3 1 UNL11111111 -0.3275 8 C 3.1631 0.3753 -0.0107 C.3 1 UNL11111111 -0.2831 9 C -4.4080 0.5169 0.0117 C.3 1 UNL11111111 -0.1026 10 C 4.4005 -0.5397 -0.0170 C.3 1 UNL11111111 -0.1026 11 H -0.6404 -1.0861 0.8666 H 1 UNL11111111 0.1374 12 H -0.6513 -1.0734 -0.8994 H 1 UNL11111111 0.1368 13 H 0.6499 1.1089 -0.8920 H 1 UNL11111111 0.1371 14 H 0.6593 1.0975 0.8741 H 1 UNL11111111 0.1391 15 H -1.8654 1.1400 0.8900 H 1 UNL11111111 0.1391 16 H -1.8782 1.1506 -0.8763 H 1 UNL11111111 0.1387 17 H 1.8631 -1.1407 0.8505 H 1 UNL11111111 0.1387 18 H 1.8642 -1.1183 -0.9164 H 1 UNL11111111 0.1356 19 H -3.1648 -1.0424 -0.8756 H 1 UNL11111111 0.1390 20 H -3.1587 -1.0430 0.8896 H 1 UNL11111111 0.1392 21 H 3.1929 1.0254 0.8865 H 1 UNL11111111 0.1572 22 H 3.1866 1.0599 -0.8774 H 1 UNL11111111 0.1365 23 H -4.4071 1.1900 -0.8743 H 1 UNL11111111 0.1422 24 H -4.4082 1.1786 0.9057 H 1 UNL11111111 0.1423 25 H 4.3960 -1.1851 -0.9205 H 1 UNL11111111 0.1055 26 H 4.3769 -1.2147 0.8675 H 1 UNL11111111 0.1408 27 H -5.7653 -0.8269 0.8198 H 1 UNL11111111 0.2451 28 H -5.7628 -0.8164 -0.8152 H 1 UNL11111111 0.2450 29 H 5.6834 0.9643 -0.6576 H 1 UNL11111111 0.2448 30 H 6.4555 -0.2665 0.0910 H 1 UNL11111111 0.2455 @BOND 1 25 10 1 2 18 6 1 3 12 3 1 4 13 4 1 5 22 8 1 6 16 5 1 7 19 7 1 8 23 9 1 9 28 1 1 10 29 2 1 11 6 4 1 12 6 8 1 13 6 17 1 14 10 8 1 15 10 2 1 16 10 26 1 17 4 3 1 18 4 14 1 19 3 5 1 20 3 11 1 21 8 21 1 22 5 7 1 23 5 15 1 24 1 9 1 25 1 27 1 26 7 9 1 27 7 20 1 28 9 24 1 29 2 30 1