@MOLECULE (2e)-4-(2'-chloro-4-biphenylyl)-2-methyl-4-oxo-2-butenoic acid 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.0545 -1.1634 1.7213 Cl 1 UNL1111111111 -0.0719 2 O 2.6612 -2.4398 -1.1821 O.2 1 UNL1111111111 -0.4167 3 O 5.6293 1.2462 1.6079 O.3 1 UNL1111111111 -0.5443 4 O 5.5563 1.7054 -0.5696 O.2 1 UNL1111111111 -0.4971 5 C -1.6152 0.0428 -0.5879 C.ar 1 UNL1111111111 0.0306 6 C -3.0069 0.4658 -0.3984 C.ar 1 UNL1111111111 -0.0554 7 C 1.0277 -0.7803 -0.8565 C.ar 1 UNL1111111111 -0.1659 8 C -0.5783 0.9551 -0.3765 C.ar 1 UNL1111111111 -0.1766 9 C -1.3340 -1.2752 -0.9556 C.ar 1 UNL1111111111 -0.1715 10 C 0.7430 0.5424 -0.5133 C.ar 1 UNL1111111111 -0.0881 11 C -0.0115 -1.6859 -1.0858 C.ar 1 UNL1111111111 -0.0676 12 C -3.7702 -0.0402 0.6519 C.ar 1 UNL1111111111 0.0143 13 C -3.5967 1.3908 -1.2631 C.ar 1 UNL1111111111 -0.1295 14 C 2.4195 -1.2760 -0.9681 C.2 1 UNL1111111111 0.4613 15 C -5.0875 0.3407 0.8670 C.ar 1 UNL1111111111 -0.1645 16 C -4.9188 1.7835 -1.0664 C.ar 1 UNL1111111111 -0.1484 17 C 3.5207 -0.2911 -0.8253 C.2 1 UNL1111111111 -0.2274 18 C -5.6620 1.2627 -0.0070 C.ar 1 UNL1111111111 -0.1244 19 C 3.9863 0.1218 0.3581 C.2 1 UNL1111111111 -0.0287 20 C 3.4770 -0.3130 1.6814 C.3 1 UNL1111111111 -0.4411 21 C 5.1080 1.0901 0.3641 C.2 1 UNL1111111111 0.6199 22 H -0.8071 1.9815 -0.0943 H 1 UNL1111111111 0.1626 23 H -2.1473 -1.9793 -1.1297 H 1 UNL1111111111 0.1676 24 H 1.5527 1.2562 -0.3450 H 1 UNL1111111111 0.1621 25 H 0.2211 -2.7196 -1.3590 H 1 UNL1111111111 0.1755 26 H -3.0181 1.7992 -2.0924 H 1 UNL1111111111 0.1647 27 H -5.6632 -0.0668 1.6978 H 1 UNL1111111111 0.1737 28 H -5.3745 2.5033 -1.7452 H 1 UNL1111111111 0.1590 29 H 3.9437 0.0502 -1.7778 H 1 UNL1111111111 0.1974 30 H -6.6951 1.5767 0.1399 H 1 UNL1111111111 0.1577 31 H 3.2716 0.5431 2.3453 H 1 UNL1111111111 0.1732 32 H 4.2247 -0.9333 2.2076 H 1 UNL1111111111 0.1799 33 H 2.5534 -0.9069 1.6181 H 1 UNL1111111111 0.1650 34 H 6.3894 1.8811 1.6338 H 1 UNL1111111111 0.3546 @BOND 1 1 12 1 2 2 14 2 3 3 21 1 4 3 34 1 5 4 21 2 6 5 6 1 7 5 8 ar 8 5 9 ar 9 6 12 ar 10 6 13 ar 11 7 10 ar 12 7 11 ar 13 7 14 1 14 8 10 ar 15 8 22 1 16 9 11 ar 17 9 23 1 18 10 24 1 19 11 25 1 20 12 15 ar 21 13 16 ar 22 13 26 1 23 14 17 1 24 15 18 ar 25 15 27 1 26 16 18 ar 27 16 28 1 28 17 19 2 29 17 29 1 30 18 30 1 31 19 20 1 32 19 21 1 33 20 31 1 34 20 32 1 35 20 33 1