@MOLECULE anhydrofusarubin 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2737 0.6561 0.0613 O.2 1 UNL1111111111 -0.0844 2 O -0.7619 2.8524 -0.0083 O.3 1 UNL1111111111 -0.2641 3 O -0.5281 -2.5896 -0.0402 O.3 1 UNL1111111111 -0.2702 4 O 4.3200 -1.1070 0.0399 O.2 1 UNL1111111111 0.0020 5 O 2.0997 -2.4174 0.0227 O.2 1 UNL1111111111 -0.2305 6 O 1.8285 2.9278 0.0069 O.2 1 UNL1111111111 -0.3432 7 C -1.8021 0.7713 -0.0254 C.ar 1 UNL1111111111 0.0368 8 C -1.7554 -0.6045 -0.0334 C.ar 1 UNL1111111111 0.3997 9 C 0.6480 0.9017 -0.0013 C.ar 1 UNL1111111111 -0.0899 10 C 0.7082 -0.5200 -0.0035 C.ar 1 UNL1111111111 -0.0108 11 C -0.5936 1.5235 -0.0106 C.ar 1 UNL1111111111 -0.1219 12 C -0.4714 -1.2506 -0.0249 C.ar 1 UNL1111111111 -0.1990 13 C -3.1079 1.4841 -0.0418 C.3 1 UNL1111111111 -0.5720 14 C -2.9794 -1.3518 -0.0386 C.2 1 UNL1111111111 -0.7439 15 C 1.9973 -1.2063 0.0176 C.2 1 UNL1111111111 0.1484 16 C 1.8767 1.7038 0.0071 C.2 1 UNL1111111111 0.2761 17 C -4.1557 -0.6863 0.0134 C.2 1 UNL1111111111 0.4224 18 C 3.2258 -0.3334 0.0249 C.2 1 UNL1111111111 0.1757 19 C 3.1617 1.0098 0.0143 C.2 1 UNL1111111111 -0.4889 20 C -5.5137 -1.2869 0.0444 C.3 1 UNL1111111111 -0.8717 21 C 5.5857 -0.4529 -0.0307 C.3 1 UNL1111111111 -0.7576 22 H -3.2163 2.1792 0.8195 H 1 UNL1111111111 0.2998 23 H -3.2582 2.0471 -0.9884 H 1 UNL1111111111 0.3017 24 H -2.9276 -2.4364 -0.0729 H 1 UNL1111111111 0.3526 25 H 4.0378 1.6543 0.0135 H 1 UNL1111111111 0.2394 26 H -6.1565 -0.7989 0.7962 H 1 UNL1111111111 0.2851 27 H -5.4844 -2.3609 0.2792 H 1 UNL1111111111 0.2706 28 H -6.0209 -1.1709 -0.9280 H 1 UNL1111111111 0.2835 29 H 0.1503 3.3256 -0.0004 H 1 UNL1111111111 0.3728 30 H 0.4022 -2.9944 -0.0302 H 1 UNL1111111111 0.3614 31 H 5.7517 0.1682 0.8552 H 1 UNL1111111111 0.2614 32 H 5.6752 0.1308 -0.9520 H 1 UNL1111111111 0.2573 33 H 6.2798 -1.3051 -0.0426 H 1 UNL1111111111 0.3015 @BOND 1 1 13 1 2 1 17 1 3 2 11 1 4 2 29 1 5 3 12 1 6 3 30 1 7 4 18 1 8 4 21 1 9 5 15 2 10 6 16 2 11 7 8 ar 12 7 11 ar 13 7 13 1 14 8 12 ar 15 8 14 1 16 9 10 ar 17 9 11 ar 18 9 16 1 19 10 12 ar 20 10 15 1 21 13 22 1 22 13 23 1 23 14 17 2 24 14 24 1 25 15 18 1 26 16 19 1 27 17 20 1 28 18 19 2 29 19 25 1 30 20 26 1 31 20 27 1 32 20 28 1 33 21 31 1 34 21 32 1 35 21 33 1