@MOLECULE 4-aminobutanol 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0473 0.1965 -0.0456 O.3 1 UNL1111111111 -0.5439 2 N 3.1781 -0.1569 0.0158 N.3 1 UNL1111111111 -0.6390 3 C 0.6645 -0.4121 -0.0029 C.3 1 UNL1111111111 -0.3223 4 C -0.6354 0.3925 -0.0111 C.3 1 UNL1111111111 -0.3237 5 C 1.8800 0.5387 -0.0196 C.3 1 UNL1111111111 -0.0992 6 C -1.8467 -0.5451 0.0187 C.3 1 UNL1111111111 0.0036 7 H 0.7074 -1.0634 0.8893 H 1 UNL1111111111 0.1394 8 H 0.7020 -1.0879 -0.8773 H 1 UNL1111111111 0.1421 9 H -0.6908 1.0353 -0.9123 H 1 UNL1111111111 0.1573 10 H -0.6685 1.0854 0.8502 H 1 UNL1111111111 0.1419 11 H 1.8393 1.2331 0.8484 H 1 UNL1111111111 0.1424 12 H 1.8570 1.1768 -0.9309 H 1 UNL1111111111 0.1444 13 H -1.9069 -1.1820 -0.8840 H 1 UNL1111111111 0.1423 14 H -1.8617 -1.1814 0.9205 H 1 UNL1111111111 0.1128 15 H 3.3101 -0.7544 -0.7828 H 1 UNL1111111111 0.2467 16 H 3.2930 -0.7033 0.8526 H 1 UNL1111111111 0.2460 17 H -3.1176 0.8123 0.7084 H 1 UNL1111111111 0.3092 @BOND 1 1 6 1 2 1 17 1 3 2 5 1 4 2 15 1 5 2 16 1 6 3 4 1 7 3 5 1 8 3 7 1 9 3 8 1 10 4 6 1 11 4 9 1 12 4 10 1 13 5 11 1 14 5 12 1 15 6 13 1 16 6 14 1