@MOLECULE methyl 5-aminolevulinate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8990 0.7295 -0.1187 O.3 1 UNL1111 -0.4120 2 O -2.0179 1.3047 0.1827 O.2 1 UNL1111 -0.4537 3 O 2.1370 -1.3655 0.1785 O.2 1 UNL1111 -0.5116 4 N -4.3819 -0.0741 -0.0074 N.3 1 UNL1111 -0.5980 5 C -0.5404 -0.5501 -0.0294 C.3 1 UNL1111 -0.3721 6 C 0.5807 0.4842 -0.0738 C.3 1 UNL1111 -0.3323 7 C -1.8864 0.1190 0.0145 C.2 1 UNL1111 0.4292 8 C -3.1011 -0.7793 -0.1592 C.3 1 UNL1111 -0.2172 9 C 1.9132 -0.1945 0.0136 C.2 1 UNL1111 0.6022 10 C 4.2347 0.2447 -0.0250 C.3 1 UNL1111 -0.1677 11 H -0.4661 -1.2398 -0.8970 H 1 UNL1111 0.1791 12 H -0.4189 -1.2112 0.8600 H 1 UNL1111 0.1887 13 H 0.5153 1.1071 -0.9938 H 1 UNL1111 0.1894 14 H 0.4708 1.2219 0.7566 H 1 UNL1111 0.1984 15 H -3.0792 -1.2546 -1.1686 H 1 UNL1111 0.1709 16 H -3.0703 -1.6207 0.5716 H 1 UNL1111 0.1703 17 H -4.4700 0.6754 -0.6796 H 1 UNL1111 0.2546 18 H -4.4726 0.3296 0.9141 H 1 UNL1111 0.2527 19 H 4.8347 1.1472 -0.1931 H 1 UNL1111 0.1487 20 H 4.4224 -0.5098 -0.7962 H 1 UNL1111 0.1405 21 H 4.4125 -0.1744 0.9710 H 1 UNL1111 0.1398 @BOND 1 1 9 1 2 1 10 1 3 2 7 2 4 3 9 2 5 4 8 1 6 4 17 1 7 4 18 1 8 5 6 1 9 5 7 1 10 5 11 1 11 5 12 1 12 6 9 1 13 6 13 1 14 6 14 1 15 7 8 1 16 8 15 1 17 8 16 1 18 10 19 1 19 10 20 1 20 10 21 1