@MOLECULE (3r,4r)-3,4-dihydrobenzo[k]tetraphene-3,4-diol 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.0909 1.7035 0.4227 O.3 1 UNL1111111111 -0.5530 2 O 6.2457 -0.9739 0.0269 O.3 1 UNL1111111111 -0.5476 3 C 2.9485 0.7559 -0.1802 C.ar 1 UNL1111111111 -0.0905 4 C 2.1507 -0.3670 -0.1836 C.ar 1 UNL1111111111 -0.0012 5 C 4.4453 0.6272 -0.2195 C.3 1 UNL1111111111 0.0908 6 C 0.7237 -0.2223 -0.1349 C.ar 1 UNL1111111111 -0.0096 7 C 0.1678 1.0822 -0.1195 C.ar 1 UNL1111111111 0.0040 8 C 4.9244 -0.6861 0.4427 C.3 1 UNL1111111111 0.0919 9 C -2.0880 0.1609 -0.0294 C.ar 1 UNL1111111111 -0.0008 10 C -1.5267 -1.1505 -0.0337 C.ar 1 UNL1111111111 -0.0047 11 C -0.1516 -1.3231 -0.0856 C.ar 1 UNL1111111111 -0.1544 12 C 2.3864 2.0596 -0.1818 C.ar 1 UNL1111111111 -0.1457 13 C 2.7783 -1.6847 -0.2498 C.2 1 UNL1111111111 -0.1810 14 C -1.2299 1.2488 -0.0702 C.ar 1 UNL1111111111 -0.1654 15 C 1.0311 2.2199 -0.1524 C.ar 1 UNL1111111111 -0.1499 16 C 4.0812 -1.8473 0.0161 C.2 1 UNL1111111111 -0.1416 17 C -3.5349 0.3096 0.0199 C.ar 1 UNL1111111111 -0.0109 18 C -4.3472 -0.8395 0.0677 C.ar 1 UNL1111111111 -0.0057 19 C -2.4025 -2.2995 0.0184 C.ar 1 UNL1111111111 -0.1474 20 C -3.7442 -2.1518 0.0669 C.ar 1 UNL1111111111 -0.1507 21 C -4.1527 1.5742 0.0209 C.ar 1 UNL1111111111 -0.1496 22 C -5.7478 -0.7092 0.1158 C.ar 1 UNL1111111111 -0.1539 23 C -5.5308 1.6903 0.0682 C.ar 1 UNL1111111111 -0.1453 24 C -6.3346 0.5427 0.1161 C.ar 1 UNL1111111111 -0.1435 25 H 4.8285 0.7083 -1.2690 H 1 UNL1111111111 0.1743 26 H 4.9355 -0.5924 1.5566 H 1 UNL1111111111 0.1381 27 H 0.2583 -2.3336 -0.0814 H 1 UNL1111111111 0.1601 28 H 3.0586 2.9191 -0.2175 H 1 UNL1111111111 0.1686 29 H -1.6266 2.2647 -0.0633 H 1 UNL1111111111 0.1602 30 H 2.1500 -2.5237 -0.5463 H 1 UNL1111111111 0.1625 31 H 0.5831 3.2125 -0.1548 H 1 UNL1111111111 0.1570 32 H 4.6010 -2.8010 -0.0490 H 1 UNL1111111111 0.1725 33 H -1.9393 -3.2858 0.0174 H 1 UNL1111111111 0.1569 34 H -4.4104 -3.0128 0.1065 H 1 UNL1111111111 0.1553 35 H 4.7155 1.8656 1.3130 H 1 UNL1111111111 0.3207 36 H -3.5421 2.4758 -0.0168 H 1 UNL1111111111 0.1547 37 H 6.7954 -0.1615 0.0910 H 1 UNL1111111111 0.3295 38 H -6.3662 -1.6046 0.1523 H 1 UNL1111111111 0.1533 39 H -5.9978 2.6735 0.0682 H 1 UNL1111111111 0.1513 40 H -7.4174 0.6446 0.1527 H 1 UNL1111111111 0.1508 @BOND 1 1 5 1 2 1 35 1 3 2 8 1 4 2 37 1 5 3 4 ar 6 3 5 1 7 3 12 ar 8 4 6 ar 9 4 13 1 10 5 8 1 11 5 25 1 12 6 7 ar 13 6 11 ar 14 7 14 ar 15 7 15 ar 16 8 16 1 17 8 26 1 18 9 10 ar 19 9 14 ar 20 9 17 ar 21 10 11 ar 22 10 19 ar 23 11 27 1 24 12 15 ar 25 12 28 1 26 13 16 2 27 13 30 1 28 14 29 1 29 15 31 1 30 16 32 1 31 17 18 ar 32 17 21 ar 33 18 20 ar 34 18 22 ar 35 19 20 ar 36 19 33 1 37 20 34 1 38 21 23 ar 39 21 36 1 40 22 24 ar 41 22 38 1 42 23 24 ar 43 23 39 1 44 24 40 1