@MOLECULE 4,4'-[(3e)-3-hexene-3,4-diyl]bis(2-allylphenol) 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9545 0.9510 -0.3413 O.3 1 UNL1111111111 -0.4752 2 O 5.9491 0.8291 0.3626 O.3 1 UNL1111111111 -0.4743 3 C -0.3749 0.8497 -0.5649 C.2 1 UNL1111111111 -0.0307 4 C 0.3635 0.8685 0.5548 C.2 1 UNL1111111111 -0.0325 5 C -1.8434 0.8533 -0.5383 C.ar 1 UNL1111111111 -0.0519 6 C 1.8323 0.8612 0.5067 C.ar 1 UNL1111111111 -0.0489 7 C 0.2267 0.8320 -1.9413 C.3 1 UNL1111111111 -0.2532 8 C -0.2124 0.9269 1.9400 C.3 1 UNL1111111111 -0.2521 9 C -2.5319 -0.3589 -0.5133 C.ar 1 UNL1111111111 -0.1138 10 C 2.5369 -0.3462 0.5109 C.ar 1 UNL1111111111 -0.1239 11 C -3.9257 -0.3832 -0.4701 C.ar 1 UNL1111111111 -0.1325 12 C 3.9289 -0.3583 0.4619 C.ar 1 UNL1111111111 -0.0694 13 C -2.5414 2.0656 -0.5449 C.ar 1 UNL1111111111 -0.1128 14 C 2.5133 2.0781 0.4613 C.ar 1 UNL1111111111 -0.1074 15 C 0.4937 -0.6029 -2.4009 C.3 1 UNL1111111111 -0.4270 16 C -0.4362 -0.4832 2.4897 C.3 1 UNL1111111111 -0.4263 17 C -4.6016 0.8405 -0.4351 C.ar 1 UNL1111111111 0.2536 18 C 4.5896 0.8787 0.4150 C.ar 1 UNL1111111111 0.2493 19 C -3.9290 2.0665 -0.4932 C.ar 1 UNL1111111111 -0.2300 20 C 3.9043 2.0948 0.4174 C.ar 1 UNL1111111111 -0.2911 21 C -4.6602 -1.6847 -0.4288 C.3 1 UNL1111111111 -0.2849 22 C 4.6780 -1.6523 0.4392 C.3 1 UNL1111111111 -0.2787 23 C -4.8854 -2.0720 1.0028 C.2 1 UNL1111111111 -0.1088 24 C 4.8669 -2.0873 -0.9840 C.2 1 UNL1111111111 -0.0852 25 C -4.3545 -3.1687 1.5421 C.2 1 UNL1111111111 -0.3240 26 C 4.3544 -3.2107 -1.4835 C.2 1 UNL1111111111 -0.3508 27 H 1.1736 1.4117 -1.9584 H 1 UNL1111111111 0.1489 28 H -0.4487 1.3409 -2.6588 H 1 UNL1111111111 0.1460 29 H 0.4644 1.4908 2.6111 H 1 UNL1111111111 0.1456 30 H -1.1695 1.4870 1.9363 H 1 UNL1111111111 0.1497 31 H -1.9720 -1.2943 -0.5185 H 1 UNL1111111111 0.1601 32 H 1.9862 -1.2874 0.5445 H 1 UNL1111111111 0.1625 33 H -1.9942 3.0072 -0.5844 H 1 UNL1111111111 0.1584 34 H 1.9548 3.0128 0.4557 H 1 UNL1111111111 0.1571 35 H 1.1743 -1.1193 -1.7129 H 1 UNL1111111111 0.1490 36 H 0.9596 -0.6188 -3.3917 H 1 UNL1111111111 0.1416 37 H -0.4329 -1.1848 -2.4545 H 1 UNL1111111111 0.1434 38 H -0.8783 -0.4465 3.4903 H 1 UNL1111111111 0.1408 39 H 0.5045 -1.0398 2.5565 H 1 UNL1111111111 0.1451 40 H -1.1195 -1.0531 1.8491 H 1 UNL1111111111 0.1471 41 H -4.5002 2.9909 -0.4883 H 1 UNL1111111111 0.1744 42 H 4.4422 3.0345 0.3837 H 1 UNL1111111111 0.1585 43 H -4.0883 -2.4710 -0.9763 H 1 UNL1111111111 0.1637 44 H -5.6266 -1.6314 -0.9753 H 1 UNL1111111111 0.1488 45 H 4.1485 -2.4230 1.0363 H 1 UNL1111111111 0.1528 46 H 5.6725 -1.5389 0.9304 H 1 UNL1111111111 0.1715 47 H -5.4938 -1.3773 1.5783 H 1 UNL1111111111 0.1415 48 H 5.4564 -1.3971 -1.5910 H 1 UNL1111111111 0.1469 49 H -6.3979 0.0769 -0.2230 H 1 UNL1111111111 0.3253 50 H 6.3463 1.7345 0.3387 H 1 UNL1111111111 0.3250 51 H -4.4949 -3.4518 2.5738 H 1 UNL1111111111 0.1456 52 H -3.7370 -3.8694 1.0038 H 1 UNL1111111111 0.1459 53 H 4.4885 -3.5171 -2.5086 H 1 UNL1111111111 0.1436 54 H 3.7661 -3.9106 -0.9140 H 1 UNL1111111111 0.1437 @BOND 1 1 17 1 2 1 49 1 3 2 18 1 4 2 50 1 5 3 4 2 6 3 5 1 7 3 7 1 8 4 6 1 9 4 8 1 10 5 9 ar 11 5 13 ar 12 6 10 ar 13 6 14 ar 14 7 15 1 15 7 27 1 16 7 28 1 17 8 16 1 18 8 29 1 19 8 30 1 20 9 11 ar 21 9 31 1 22 10 12 ar 23 10 32 1 24 11 17 ar 25 11 21 1 26 12 18 ar 27 12 22 1 28 13 19 ar 29 13 33 1 30 14 20 ar 31 14 34 1 32 15 35 1 33 15 36 1 34 15 37 1 35 16 38 1 36 16 39 1 37 16 40 1 38 17 19 ar 39 18 20 ar 40 19 41 1 41 20 42 1 42 21 23 1 43 21 43 1 44 21 44 1 45 22 24 1 46 22 45 1 47 22 46 1 48 23 25 2 49 23 47 1 50 24 26 2 51 24 48 1 52 25 51 1 53 25 52 1 54 26 53 1 55 26 54 1