@MOLECULE (2s)-3-phenyl-2-{[(2e)-3-phenyl-2-propenoyl]oxy}propanoic acid 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2386 -1.0769 0.2676 O.3 1 UNL1111111111 -0.4076 2 O 4.6093 -2.1237 0.0395 O.3 1 UNL1111111111 -0.5756 3 O 2.7932 -3.2726 0.6388 O.2 1 UNL1111111111 -0.4577 4 O 0.6248 -0.8081 -1.8851 O.2 1 UNL1111111111 -0.4948 5 C 3.1440 0.2135 0.8033 C.3 1 UNL1111111111 -0.3080 6 C 2.6062 -0.9211 -0.0799 C.3 1 UNL1111111111 0.0654 7 C 2.4218 1.4805 0.4608 C.ar 1 UNL1111111111 0.0087 8 C 2.9462 2.3591 -0.4883 C.ar 1 UNL1111111111 -0.1669 9 C 1.1969 1.7661 1.0692 C.ar 1 UNL1111111111 -0.1613 10 C 3.2698 -2.2431 0.2570 C.2 1 UNL1111111111 0.5975 11 C 2.2444 3.5130 -0.8307 C.ar 1 UNL1111111111 -0.1395 12 C 0.4968 2.9187 0.7232 C.ar 1 UNL1111111111 -0.1449 13 C 1.0191 3.7933 -0.2284 C.ar 1 UNL1111111111 -0.1572 14 C 0.3124 -0.9339 -0.7289 C.2 1 UNL1111111111 0.6155 15 C -3.4156 -0.3383 -0.2970 C.ar 1 UNL1111111111 -0.0396 16 C -1.0287 -0.9368 -0.1355 C.2 1 UNL1111111111 -0.2802 17 C -2.0513 -0.4014 -0.8164 C.2 1 UNL1111111111 -0.0375 18 C -3.6627 -0.0465 1.0475 C.ar 1 UNL1111111111 -0.1304 19 C -4.4864 -0.5663 -1.1686 C.ar 1 UNL1111111111 -0.1369 20 C -4.9734 0.0113 1.5159 C.ar 1 UNL1111111111 -0.1548 21 C -5.7935 -0.5162 -0.6932 C.ar 1 UNL1111111111 -0.1511 22 C -6.0381 -0.2260 0.6488 C.ar 1 UNL1111111111 -0.1373 23 H 3.0084 -0.0380 1.8770 H 1 UNL1111111111 0.1697 24 H 4.2416 0.3122 0.6576 H 1 UNL1111111111 0.1766 25 H 2.7345 -0.6921 -1.1704 H 1 UNL1111111111 0.1919 26 H 3.8985 2.1418 -0.9678 H 1 UNL1111111111 0.1541 27 H 0.7850 1.0773 1.8057 H 1 UNL1111111111 0.1596 28 H 2.6530 4.1949 -1.5741 H 1 UNL1111111111 0.1489 29 H -0.4598 3.1358 1.1941 H 1 UNL1111111111 0.1487 30 H 0.4708 4.6920 -0.5017 H 1 UNL1111111111 0.1497 31 H -1.1208 -1.3809 0.8559 H 1 UNL1111111111 0.1915 32 H -1.9054 0.0178 -1.8220 H 1 UNL1111111111 0.1739 33 H -2.8327 0.1421 1.7276 H 1 UNL1111111111 0.1582 34 H -4.2974 -0.7906 -2.2179 H 1 UNL1111111111 0.1576 35 H 5.1167 -2.9524 0.2163 H 1 UNL1111111111 0.3584 36 H -5.1667 0.2408 2.5622 H 1 UNL1111111111 0.1512 37 H -6.6262 -0.7020 -1.3695 H 1 UNL1111111111 0.1530 38 H -7.0612 -0.1837 1.0182 H 1 UNL1111111111 0.1512 @BOND 1 1 6 1 2 1 14 1 3 2 10 1 4 2 35 1 5 3 10 2 6 4 14 2 7 5 6 1 8 5 7 1 9 5 23 1 10 5 24 1 11 6 10 1 12 6 25 1 13 7 8 ar 14 7 9 ar 15 8 11 ar 16 8 26 1 17 9 12 ar 18 9 27 1 19 11 13 ar 20 11 28 1 21 12 13 ar 22 12 29 1 23 13 30 1 24 14 16 1 25 15 17 1 26 15 18 ar 27 15 19 ar 28 16 17 2 29 16 31 1 30 17 32 1 31 18 20 ar 32 18 33 1 33 19 21 ar 34 19 34 1 35 20 22 ar 36 20 36 1 37 21 22 ar 38 21 37 1 39 22 38 1