@MOLECULE (2e)-3-{4-[(1z)-1,2-diphenyl-1-buten-1-yl]phenyl}acrylic acid 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -6.8533 -0.4394 1.0825 O.3 1 UNL11111111 -0.5582 2 O -6.6232 -1.4767 -0.8744 O.2 1 UNL11111111 -0.5162 3 C 2.3064 1.0934 0.2150 C.2 1 UNL11111111 0.0132 4 C 1.8462 -0.1623 0.0969 C.2 1 UNL11111111 -0.1026 5 C 3.7532 1.4310 0.4032 C.3 1 UNL11111111 -0.2602 6 C 0.4134 -0.4453 -0.0774 C.ar 1 UNL11111111 0.0310 7 C 1.3841 2.2390 0.1610 C.ar 1 UNL11111111 -0.0089 8 C 2.7062 -1.3515 0.1336 C.ar 1 UNL11111111 0.0209 9 C -0.3689 -0.7643 1.0341 C.ar 1 UNL11111111 -0.1621 10 C -0.1634 -0.3759 -1.3483 C.ar 1 UNL11111111 -0.1627 11 C 4.4432 1.5442 -0.9584 C.3 1 UNL11111111 -0.4246 12 C 0.8206 2.7322 1.3394 C.ar 1 UNL11111111 -0.1582 13 C 1.0567 2.8117 -1.0695 C.ar 1 UNL11111111 -0.1564 14 C 3.0722 -1.9782 -1.0596 C.ar 1 UNL11111111 -0.1594 15 C 3.1439 -1.8603 1.3586 C.ar 1 UNL11111111 -0.1634 16 C -2.3192 -0.8974 -0.3871 C.ar 1 UNL11111111 -0.0576 17 C -1.7337 -0.9840 0.8798 C.ar 1 UNL11111111 -0.1160 18 C -1.5255 -0.6068 -1.5031 C.ar 1 UNL11111111 -0.1211 19 C -0.0793 3.7928 1.2821 C.ar 1 UNL11111111 -0.1404 20 C 0.1567 3.8732 -1.1199 C.ar 1 UNL11111111 -0.1416 21 C 3.8811 -3.1112 -1.0251 C.ar 1 UNL11111111 -0.1388 22 C 3.9505 -2.9950 1.3863 C.ar 1 UNL11111111 -0.1393 23 C -0.4135 4.3620 0.0544 C.ar 1 UNL11111111 -0.1532 24 C 4.3207 -3.6196 0.1962 C.ar 1 UNL11111111 -0.1571 25 C -3.7529 -1.1081 -0.5692 C.2 1 UNL11111111 -0.0214 26 C -4.6745 -0.6879 0.3101 C.2 1 UNL11111111 -0.2980 27 C -6.0955 -0.9309 0.0627 C.2 1 UNL11111111 0.6476 28 H 4.2592 0.6566 1.0185 H 1 UNL11111111 0.1547 29 H 3.8628 2.3803 0.9665 H 1 UNL11111111 0.1514 30 H 0.0922 -0.8336 2.0175 H 1 UNL11111111 0.1584 31 H 0.4551 -0.1327 -2.2099 H 1 UNL11111111 0.1573 32 H 4.3875 0.5966 -1.5091 H 1 UNL11111111 0.1497 33 H 5.5022 1.7993 -0.8453 H 1 UNL11111111 0.1440 34 H 3.9776 2.3193 -1.5781 H 1 UNL11111111 0.1467 35 H 1.0783 2.2805 2.2953 H 1 UNL11111111 0.1551 36 H 1.4984 2.4218 -1.9840 H 1 UNL11111111 0.1542 37 H 2.7209 -1.5816 -2.0098 H 1 UNL11111111 0.1550 38 H 2.8508 -1.3712 2.2849 H 1 UNL11111111 0.1550 39 H -2.3445 -1.2291 1.7481 H 1 UNL11111111 0.1577 40 H -1.9758 -0.5489 -2.4931 H 1 UNL11111111 0.1556 41 H -0.5257 4.1753 2.1980 H 1 UNL11111111 0.1499 42 H -0.1046 4.3180 -2.0780 H 1 UNL11111111 0.1501 43 H 4.1680 -3.6014 -1.9533 H 1 UNL11111111 0.1490 44 H 4.2913 -3.3954 2.3389 H 1 UNL11111111 0.1482 45 H -1.1214 5.1871 0.0122 H 1 UNL11111111 0.1503 46 H 4.9512 -4.5055 0.2206 H 1 UNL11111111 0.1484 47 H -4.0464 -1.6319 -1.4899 H 1 UNL11111111 0.1714 48 H -4.4323 -0.1471 1.2267 H 1 UNL11111111 0.1905 49 H -7.8219 -0.5832 0.9525 H 1 UNL11111111 0.3522 @BOND 1 40 18 1 2 31 10 1 3 42 20 1 4 37 14 1 5 36 13 1 6 43 21 1 7 34 11 1 8 32 11 1 9 18 10 ar 10 18 16 ar 11 47 25 1 12 10 6 ar 13 20 13 ar 14 20 23 ar 15 13 7 ar 16 14 21 ar 17 14 8 ar 18 21 24 ar 19 11 33 1 20 11 5 1 21 2 27 2 22 25 16 1 23 25 26 2 24 16 17 ar 25 6 4 1 26 6 9 ar 27 45 23 1 28 23 19 ar 29 27 26 1 30 27 1 1 31 4 8 1 32 4 3 2 33 8 15 ar 34 7 3 1 35 7 12 ar 36 24 46 1 37 24 22 ar 38 3 5 1 39 26 48 1 40 5 29 1 41 5 28 1 42 17 9 ar 43 17 39 1 44 49 1 1 45 9 30 1 46 19 12 ar 47 19 41 1 48 12 35 1 49 15 22 ar 50 15 38 1 51 22 44 1