@MOLECULE methyl 4-aminobutanoate 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.1847 0.7072 0.0046 O.3 1 UNL11111111 -0.4197 2 O -1.2268 -1.3264 -0.0101 O.2 1 UNL11111111 -0.5007 3 N 3.8841 -0.2481 0.0067 N.3 1 UNL11111111 -0.6376 4 C 1.3629 -0.2406 0.0124 C.3 1 UNL11111111 -0.3114 5 C 0.1468 0.6840 -0.0109 C.3 1 UNL11111111 -0.3476 6 C 2.6671 0.5811 -0.0090 C.3 1 UNL11111111 -0.0973 7 C -1.1127 -0.1295 -0.0055 C.2 1 UNL11111111 0.6015 8 C -3.4650 0.0845 0.0092 C.3 1 UNL11111111 -0.1671 9 H 1.3307 -0.8914 0.9084 H 1 UNL11111111 0.1556 10 H 1.3300 -0.9358 -0.8498 H 1 UNL11111111 0.1567 11 H 0.1639 1.3436 -0.9059 H 1 UNL11111111 0.1794 12 H 0.1538 1.3752 0.8598 H 1 UNL11111111 0.1794 13 H 2.7039 1.2261 -0.9150 H 1 UNL11111111 0.1427 14 H 2.7070 1.2670 0.8661 H 1 UNL11111111 0.1424 15 H 3.9408 -0.8539 -0.7950 H 1 UNL11111111 0.2483 16 H 3.9522 -0.8067 0.8410 H 1 UNL11111111 0.2481 17 H -3.5922 -0.5243 -0.8924 H 1 UNL11111111 0.1406 18 H -4.1542 0.9368 0.0178 H 1 UNL11111111 0.1462 19 H -3.5814 -0.5336 0.9058 H 1 UNL11111111 0.1407 @BOND 1 13 6 1 2 11 5 1 3 17 8 1 4 10 4 1 5 15 3 1 6 5 7 1 7 5 4 1 8 5 12 1 9 2 7 2 10 6 3 1 11 6 4 1 12 6 14 1 13 7 1 1 14 1 8 1 15 3 16 1 16 8 18 1 17 8 19 1 18 4 9 1