@MOLECULE aminolevulinic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5889 -1.3086 0.0105 O.2 1 UNL1111111111 -0.4525 2 O 3.3561 -0.8198 -0.0157 O.3 1 UNL1111111111 -0.5613 3 O 2.6414 1.2909 0.0009 O.2 1 UNL1111111111 -0.5142 4 N -3.9205 0.1399 -0.0200 N.3 1 UNL1111111111 -0.5973 5 C -0.0672 0.5216 0.0113 C.3 1 UNL1111111111 -0.3738 6 C 1.0320 -0.5371 0.0102 C.3 1 UNL1111111111 -0.3269 7 C -1.4301 -0.1145 0.0083 C.2 1 UNL1111111111 0.4269 8 C -2.6227 0.8290 0.0008 C.3 1 UNL1111111111 -0.2173 9 C 2.3739 0.1179 -0.0012 C.2 1 UNL1111111111 0.6461 10 H 0.0452 1.1963 -0.8664 H 1 UNL1111111111 0.1839 11 H 0.0440 1.1933 0.8914 H 1 UNL1111111111 0.1840 12 H 0.9255 -1.2249 -0.8616 H 1 UNL1111111111 0.1976 13 H 0.9362 -1.2157 0.8901 H 1 UNL1111111111 0.1972 14 H -2.5905 1.4939 0.8963 H 1 UNL1111111111 0.1710 15 H -2.5701 1.5093 -0.8815 H 1 UNL1111111111 0.1710 16 H -4.0360 -0.4518 0.7910 H 1 UNL1111111111 0.2541 17 H -4.0151 -0.4427 -0.8401 H 1 UNL1111111111 0.2539 18 H 4.2692 -0.4400 -0.0234 H 1 UNL1111111111 0.3575 @BOND 1 1 7 2 2 2 9 1 3 2 18 1 4 3 9 2 5 4 8 1 6 4 16 1 7 4 17 1 8 5 6 1 9 5 7 1 10 5 10 1 11 5 11 1 12 6 9 1 13 6 12 1 14 6 13 1 15 7 8 1 16 8 14 1 17 8 15 1