@MOLECULE 3-(9-anthryl)propanoic acid 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5179 0.1554 1.2973 O.3 1 UNL1111111111 -0.5712 2 O -4.2972 0.0557 -0.9162 O.2 1 UNL1111111111 -0.5119 3 C -0.0143 0.0137 -0.4016 C.ar 1 UNL1111111111 -0.0086 4 C 0.6143 -1.2301 -0.2222 C.ar 1 UNL1111111111 -0.0256 5 C 0.7057 1.2070 -0.2234 C.ar 1 UNL1111111111 -0.0254 6 C -1.4679 0.0681 -0.7672 C.3 1 UNL1111111111 -0.2696 7 C 1.9957 -1.2748 0.1205 C.ar 1 UNL1111111111 0.0040 8 C 2.0869 1.1482 0.1181 C.ar 1 UNL1111111111 0.0038 9 C 2.7128 -0.0883 0.2807 C.ar 1 UNL1111111111 -0.1843 10 C -2.3166 0.0842 0.5089 C.3 1 UNL1111111111 -0.3359 11 C -0.0791 -2.4801 -0.3624 C.ar 1 UNL1111111111 -0.1467 12 C 0.1068 2.5051 -0.3632 C.ar 1 UNL1111111111 -0.1464 13 C 2.6404 -2.5440 0.3036 C.ar 1 UNL1111111111 -0.1516 14 C 2.8255 2.3660 0.2972 C.ar 1 UNL1111111111 -0.1514 15 C 0.5582 -3.6697 -0.1775 C.ar 1 UNL1111111111 -0.1478 16 C 0.8322 3.6437 -0.1819 C.ar 1 UNL1111111111 -0.1482 17 C 1.9444 -3.7052 0.1605 C.ar 1 UNL1111111111 -0.1439 18 C 2.2183 3.5756 0.1527 C.ar 1 UNL1111111111 -0.1440 19 C -3.7687 0.0943 0.1631 C.2 1 UNL1111111111 0.6489 20 H -1.7581 -0.7863 -1.4178 H 1 UNL1111111111 0.1700 21 H -1.6990 0.9518 -1.4010 H 1 UNL1111111111 0.1678 22 H 3.7704 -0.1280 0.5386 H 1 UNL1111111111 0.1608 23 H -2.0827 -0.7961 1.1508 H 1 UNL1111111111 0.1897 24 H -2.0630 0.9639 1.1429 H 1 UNL1111111111 0.1894 25 H -1.1375 -2.4626 -0.6222 H 1 UNL1111111111 0.1562 26 H -0.9509 2.5668 -0.6190 H 1 UNL1111111111 0.1557 27 H 3.6986 -2.5476 0.5604 H 1 UNL1111111111 0.1541 28 H 3.8814 2.2904 0.5521 H 1 UNL1111111111 0.1542 29 H 0.0280 -4.6144 -0.2839 H 1 UNL1111111111 0.1508 30 H 0.3744 4.6256 -0.2882 H 1 UNL1111111111 0.1506 31 H 2.4224 -4.6728 0.2979 H 1 UNL1111111111 0.1506 32 H 2.7671 4.5056 0.2866 H 1 UNL1111111111 0.1506 33 H -5.4912 0.1631 1.1320 H 1 UNL1111111111 0.3554 @BOND 1 1 19 1 2 1 33 1 3 2 19 2 4 3 4 ar 5 3 5 ar 6 3 6 1 7 4 7 ar 8 4 11 ar 9 5 8 ar 10 5 12 ar 11 6 10 1 12 6 20 1 13 6 21 1 14 7 9 ar 15 7 13 ar 16 8 9 ar 17 8 14 ar 18 9 22 1 19 10 19 1 20 10 23 1 21 10 24 1 22 11 15 ar 23 11 25 1 24 12 16 ar 25 12 26 1 26 13 17 ar 27 13 27 1 28 14 18 ar 29 14 28 1 30 15 17 ar 31 15 29 1 32 16 18 ar 33 16 30 1 34 17 31 1 35 18 32 1