@MOLECULE 5-aminovaleric acid 19 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.2200 -0.7978 0.0369 O.3 1 UNL1 -0.5747 2 O -2.3766 1.2610 -0.0405 O.2 1 UNL1 -0.5065 3 N 4.0652 -0.2420 0.0453 N.3 1 UNL1 -0.6515 4 C 0.2939 0.3040 0.0353 C.3 1 UNL1 -0.2586 5 C 1.6206 -0.4545 -0.0401 C.3 1 UNL1 -0.2817 6 C -0.8844 -0.6727 -0.0107 C.3 1 UNL1 -0.3448 7 C 2.8025 0.5307 0.0188 C.3 1 UNL1 -0.0995 8 C -2.1767 0.0764 -0.0070 C.2 1 UNL1 0.6468 9 H 0.2471 0.9119 0.9613 H 1 UNL1 0.1535 10 H 0.2153 1.0340 -0.7959 H 1 UNL1 0.1541 11 H 1.6737 -1.0586 -0.9640 H 1 UNL1 0.1379 12 H 1.7091 -1.1769 0.7965 H 1 UNL1 0.1587 13 H -0.8301 -1.3199 -0.9139 H 1 UNL1 0.1816 14 H -0.8495 -1.3782 0.8488 H 1 UNL1 0.1835 15 H 2.7508 1.1298 0.9556 H 1 UNL1 0.1423 16 H 2.7501 1.2464 -0.8287 H 1 UNL1 0.1087 17 H 4.8673 0.3541 0.1598 H 1 UNL1 0.2483 18 H 4.1859 -0.7953 -0.7858 H 1 UNL1 0.2456 19 H -4.1056 -0.3610 0.0400 H 1 UNL1 0.3563 @BOND 1 11 5 1 2 13 6 1 3 16 7 1 4 10 4 1 5 18 3 1 6 2 8 2 7 5 7 1 8 5 4 1 9 5 12 1 10 6 8 1 11 6 4 1 12 6 14 1 13 8 1 1 14 7 3 1 15 7 15 1 16 4 9 1 17 1 19 1 18 3 17 1