@MOLECULE n-(2-aminoethyl)-1,4-butanediamine 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 N -1.2389 0.3930 0.0287 N.3 1 UNL11111111 -0.7177 2 N 5.0126 -0.2261 -0.0191 N.3 1 UNL11111111 -0.9791 3 N -4.9135 -0.2876 -0.0492 N.3 1 UNL11111111 -0.9872 4 C 1.2181 0.4439 0.0132 C.3 1 UNL11111111 -0.3470 5 C -0.0272 -0.4607 0.0053 C.3 1 UNL11111111 -0.1239 6 C 2.4928 -0.4015 0.0281 C.3 1 UNL11111111 -0.4139 7 C -2.4714 -0.4199 -0.0768 C.3 1 UNL11111111 -0.1757 8 C 3.7367 0.5109 0.0065 C.3 1 UNL11111111 -0.0736 9 C -3.6852 0.5292 0.0667 C.3 1 UNL11111111 -0.0595 10 H 1.1819 1.1103 0.8985 H 1 UNL11111111 0.1793 11 H 1.2109 1.1135 -0.8670 H 1 UNL11111111 0.1586 12 H -0.0415 -1.0953 0.9193 H 1 UNL11111111 0.1899 13 H 0.0005 -1.1469 -0.8677 H 1 UNL11111111 0.1237 14 H 2.5122 -1.0479 0.9243 H 1 UNL11111111 0.1962 15 H 2.5103 -1.0832 -0.8418 H 1 UNL11111111 0.1758 16 H -1.2027 1.0882 -0.7159 H 1 UNL11111111 0.3502 17 H -2.4761 -1.1671 0.7456 H 1 UNL11111111 0.1999 18 H -2.5492 -0.9874 -1.0288 H 1 UNL11111111 0.1652 19 H 3.7092 1.1799 -0.8818 H 1 UNL11111111 0.1440 20 H 3.7419 1.1761 0.8981 H 1 UNL11111111 0.1693 21 H -3.6839 1.2807 -0.7512 H 1 UNL11111111 0.1428 22 H -3.6124 1.0897 1.0230 H 1 UNL11111111 0.1276 23 H 5.0966 -0.8086 -0.8351 H 1 UNL11111111 0.3827 24 H 5.1362 -0.7968 0.8002 H 1 UNL11111111 0.3988 25 H -5.7381 0.2860 -0.1104 H 1 UNL11111111 0.3752 26 H -5.0164 -0.9205 0.7268 H 1 UNL11111111 0.3984 @BOND 1 18 7 1 2 19 8 1 3 13 5 1 4 11 4 1 5 15 6 1 6 23 2 1 7 21 9 1 8 16 1 1 9 25 3 1 10 7 1 1 11 7 9 1 12 7 17 1 13 3 9 1 14 3 26 1 15 2 8 1 16 2 24 1 17 5 4 1 18 5 1 1 19 5 12 1 20 8 6 1 21 8 20 1 22 4 6 1 23 4 10 1 24 6 14 1 25 9 22 1