@MOLECULE 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)propanoic acid 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5263 1.4742 -0.6203 O.3 1 UNL1111111111 -0.3100 2 O 2.1395 -2.3679 -1.1297 O.2 1 UNL1111111111 -0.4275 3 O -5.4027 -0.1721 -0.7469 O.3 1 UNL1111111111 -0.5642 4 O -4.1873 1.6811 -0.5204 O.2 1 UNL1111111111 -0.4966 5 C -2.2506 -0.5220 0.3946 C.ar 1 UNL1111111111 0.0890 6 C -3.6731 -0.2991 0.8346 C.3 1 UNL1111111111 -0.1804 7 C 0.4273 -0.9769 -0.3315 C.ar 1 UNL1111111111 -0.2998 8 C -0.1012 0.3147 -0.3126 C.ar 1 UNL1111111111 0.3042 9 C -1.4376 0.5497 0.0648 C.ar 1 UNL1111111111 -0.2752 10 C 2.8594 0.9448 -0.4379 C.ar 1 UNL1111111111 -0.0269 11 C 2.8822 -0.4046 -0.0852 C.ar 1 UNL1111111111 -0.1354 12 C 1.7616 1.4344 -1.3253 C.3 1 UNL1111111111 -0.0600 13 C 1.8345 -1.3287 -0.5924 C.2 1 UNL1111111111 0.4760 14 C -1.7503 -1.8315 0.3306 C.ar 1 UNL1111111111 -0.2568 15 C -0.4314 -2.0479 -0.0328 C.ar 1 UNL1111111111 -0.0151 16 C -3.7099 0.4281 2.1812 C.3 1 UNL1111111111 -0.4308 17 C 3.8441 1.8038 0.0437 C.ar 1 UNL1111111111 -0.1510 18 C 3.8899 -0.9047 0.7354 C.ar 1 UNL1111111111 -0.0996 19 C -4.3927 0.5452 -0.1891 C.2 1 UNL1111111111 0.6380 20 C 4.8481 1.3078 0.8755 C.ar 1 UNL1111111111 -0.1257 21 C 4.8723 -0.0421 1.2208 C.ar 1 UNL1111111111 -0.1520 22 H -4.2060 -1.2854 0.9361 H 1 UNL1111111111 0.1858 23 H -1.8136 1.5760 0.0758 H 1 UNL1111111111 0.1988 24 H 1.8667 2.5026 -1.6120 H 1 UNL1111111111 0.1640 25 H 1.6549 0.8273 -2.2460 H 1 UNL1111111111 0.1507 26 H -2.3952 -2.6750 0.5635 H 1 UNL1111111111 0.1629 27 H -0.0380 -3.0684 -0.0884 H 1 UNL1111111111 0.1691 28 H -3.1238 -0.1132 2.9355 H 1 UNL1111111111 0.1611 29 H -3.2865 1.4407 2.1068 H 1 UNL1111111111 0.1687 30 H -4.7335 0.5244 2.5621 H 1 UNL1111111111 0.1539 31 H 3.8308 2.8594 -0.2218 H 1 UNL1111111111 0.1568 32 H 3.9108 -1.9656 0.9888 H 1 UNL1111111111 0.1659 33 H 5.6162 1.9796 1.2559 H 1 UNL1111111111 0.1516 34 H 5.6601 -0.4259 1.8668 H 1 UNL1111111111 0.1550 35 H -5.9086 0.3202 -1.4388 H 1 UNL1111111111 0.3555 @BOND 1 1 8 1 2 1 12 1 3 2 13 2 4 3 19 1 5 3 35 1 6 4 19 2 7 5 6 1 8 5 9 ar 9 5 14 ar 10 6 16 1 11 6 19 1 12 6 22 1 13 7 8 ar 14 7 13 1 15 7 15 ar 16 8 9 ar 17 9 23 1 18 10 11 ar 19 10 12 1 20 10 17 ar 21 11 13 1 22 11 18 ar 23 12 24 1 24 12 25 1 25 14 15 ar 26 14 26 1 27 15 27 1 28 16 28 1 29 16 29 1 30 16 30 1 31 17 20 ar 32 17 31 1 33 18 21 ar 34 18 32 1 35 20 21 ar 36 20 33 1 37 21 34 1