@MOLECULE 2-[(10z,13e)-10,13-heptadecadien-1-yl]-1,4-benzenediol 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4298 -2.6561 0.4813 O.3 1 UNL1111111111 -0.4712 2 O 4.8312 2.3973 -1.5445 O.3 1 UNL1111111111 -0.4740 3 C -2.3087 -2.8690 1.1836 C.3 1 UNL1111111111 -0.2682 4 C -1.1210 -2.4931 0.2872 C.3 1 UNL1111111111 -0.2668 5 C -3.4621 -3.5195 0.4091 C.3 1 UNL1111111111 -0.2717 6 C 0.0127 -1.8907 1.1272 C.3 1 UNL1111111111 -0.2711 7 C -4.0694 -2.6409 -0.6928 C.3 1 UNL1111111111 -0.2697 8 C 1.1991 -1.4858 0.2438 C.3 1 UNL1111111111 -0.2559 9 C -4.6084 -1.3079 -0.1645 C.3 1 UNL1111111111 -0.2606 10 C 2.3520 -0.9504 1.1087 C.3 1 UNL1111111111 -0.2726 11 C -5.3116 -0.5351 -1.2948 C.3 1 UNL1111111111 -0.2788 12 C 3.4970 -0.5151 0.2545 C.ar 1 UNL1111111111 0.0052 13 C -5.7353 0.8096 -0.7999 C.2 1 UNL1111111111 -0.1666 14 C 4.5446 -1.4004 -0.0441 C.ar 1 UNL1111111111 0.1818 15 C 3.5712 0.7833 -0.2546 C.ar 1 UNL1111111111 -0.2766 16 C -5.0019 1.9247 -0.8573 C.2 1 UNL1111111111 -0.1541 17 C 4.6738 1.1469 -1.0293 C.ar 1 UNL1111111111 0.2392 18 C 5.6416 -1.0371 -0.8276 C.ar 1 UNL1111111111 -0.2243 19 C -3.6269 2.0248 -1.4363 C.3 1 UNL1111111111 -0.2855 20 C 5.7112 0.2568 -1.3304 C.ar 1 UNL1111111111 -0.1945 21 C -2.6711 2.5434 -0.4064 C.2 1 UNL1111111111 -0.1581 22 C -0.5630 2.2533 0.9468 C.3 1 UNL1111111111 -0.2682 23 C -1.6005 1.8357 -0.0395 C.2 1 UNL1111111111 -0.1699 24 C -0.8150 3.6148 1.6129 C.3 1 UNL1111111111 -0.2474 25 C 0.2624 3.9050 2.6546 C.3 1 UNL1111111111 -0.4414 26 H -1.9693 -3.5744 1.9677 H 1 UNL1111111111 0.1318 27 H -2.6771 -1.9732 1.7193 H 1 UNL1111111111 0.1382 28 H -1.4418 -1.7752 -0.4885 H 1 UNL1111111111 0.1377 29 H -0.7603 -3.3865 -0.2567 H 1 UNL1111111111 0.1364 30 H -3.1148 -4.4667 -0.0455 H 1 UNL1111111111 0.1326 31 H -4.2576 -3.8051 1.1265 H 1 UNL1111111111 0.1328 32 H -0.3608 -1.0113 1.6872 H 1 UNL1111111111 0.1348 33 H 0.3429 -2.6194 1.8931 H 1 UNL1111111111 0.1371 34 H -3.3150 -2.4562 -1.4815 H 1 UNL1111111111 0.1361 35 H -4.8888 -3.2006 -1.1832 H 1 UNL1111111111 0.1318 36 H 0.8857 -0.7238 -0.4930 H 1 UNL1111111111 0.1383 37 H 1.5510 -2.3510 -0.3482 H 1 UNL1111111111 0.1457 38 H -5.3098 -1.4752 0.6712 H 1 UNL1111111111 0.1377 39 H -3.7821 -0.6955 0.2512 H 1 UNL1111111111 0.1484 40 H 2.6864 -1.7416 1.8168 H 1 UNL1111111111 0.1639 41 H 1.9946 -0.1180 1.7457 H 1 UNL1111111111 0.1457 42 H -6.1945 -1.1040 -1.6475 H 1 UNL1111111111 0.1397 43 H -4.6423 -0.4534 -2.1746 H 1 UNL1111111111 0.1428 44 H -6.7293 0.8276 -0.3549 H 1 UNL1111111111 0.1401 45 H 2.7775 1.4941 -0.0455 H 1 UNL1111111111 0.1646 46 H -5.3840 2.8643 -0.4592 H 1 UNL1111111111 0.1408 47 H 6.4293 -1.7549 -1.0375 H 1 UNL1111111111 0.1595 48 H -3.2830 1.0464 -1.8345 H 1 UNL1111111111 0.1529 49 H -3.6385 2.7088 -2.3135 H 1 UNL1111111111 0.1538 50 H 6.5462 0.5879 -1.9463 H 1 UNL1111111111 0.1754 51 H -2.9124 3.5167 0.0021 H 1 UNL1111111111 0.1442 52 H 5.2039 -3.2196 0.2442 H 1 UNL1111111111 0.3212 53 H -0.4778 1.4723 1.7332 H 1 UNL1111111111 0.1485 54 H 0.4256 2.2717 0.4404 H 1 UNL1111111111 0.1436 55 H -1.4103 0.8492 -0.4729 H 1 UNL1111111111 0.1439 56 H -0.8297 4.4137 0.8475 H 1 UNL1111111111 0.1345 57 H -1.8135 3.6249 2.0904 H 1 UNL1111111111 0.1377 58 H 4.0785 2.9909 -1.3225 H 1 UNL1111111111 0.3246 59 H 1.2618 3.9250 2.2077 H 1 UNL1111111111 0.1415 60 H 0.0982 4.8745 3.1358 H 1 UNL1111111111 0.1392 61 H 0.2677 3.1446 3.4454 H 1 UNL1111111111 0.1434 @BOND 1 1 14 1 2 1 52 1 3 2 17 1 4 2 58 1 5 3 4 1 6 3 5 1 7 3 26 1 8 3 27 1 9 4 6 1 10 4 28 1 11 4 29 1 12 5 7 1 13 5 30 1 14 5 31 1 15 6 8 1 16 6 32 1 17 6 33 1 18 7 9 1 19 7 34 1 20 7 35 1 21 8 10 1 22 8 36 1 23 8 37 1 24 9 11 1 25 9 38 1 26 9 39 1 27 10 12 1 28 10 40 1 29 10 41 1 30 11 13 1 31 11 42 1 32 11 43 1 33 12 14 ar 34 12 15 ar 35 13 16 2 36 13 44 1 37 14 18 ar 38 15 17 ar 39 15 45 1 40 16 19 1 41 16 46 1 42 17 20 ar 43 18 20 ar 44 18 47 1 45 19 21 1 46 19 48 1 47 19 49 1 48 20 50 1 49 21 23 2 50 21 51 1 51 22 23 1 52 22 24 1 53 22 53 1 54 22 54 1 55 23 55 1 56 24 25 1 57 24 56 1 58 24 57 1 59 25 59 1 60 25 60 1 61 25 61 1