@MOLECULE capillobenzopyranol 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6308 -1.4448 0.7774 O.3 1 UNL1111111111 -0.3577 2 O 6.0885 -0.3786 -0.0462 O.2 1 UNL1111111111 -0.2037 3 O -5.3073 3.0467 -0.7536 O.3 1 UNL1111111111 -0.4701 4 C -1.8232 -2.2630 -0.0930 C.3 1 UNL1111111111 0.2921 5 C -0.4223 -2.2201 0.5461 C.3 1 UNL1111111111 -0.3075 6 C 0.1999 -0.8193 0.4597 C.3 1 UNL1111111111 -0.2605 7 C -1.7879 -1.8399 -1.5274 C.2 1 UNL1111111111 -0.2408 8 C -2.4577 -3.6539 0.0354 C.3 1 UNL1111111111 -0.4869 9 C -3.2545 -0.3503 0.2947 C.ar 1 UNL1111111111 0.2380 10 C -3.2058 0.0508 -1.0441 C.ar 1 UNL1111111111 -0.1289 11 C -2.4382 -0.7561 -1.9700 C.2 1 UNL1111111111 -0.1061 12 C 1.5764 -0.8556 1.0363 C.2 1 UNL1111111111 -0.2057 13 C 2.6869 -1.0538 0.3141 C.2 1 UNL1111111111 0.0349 14 C -3.9742 0.3701 1.2648 C.ar 1 UNL1111111111 -0.2477 15 C -3.8966 1.2079 -1.4271 C.ar 1 UNL1111111111 -0.2255 16 C -4.6585 1.5136 0.8890 C.ar 1 UNL1111111111 0.0401 17 C 4.0378 -1.0914 0.9778 C.3 1 UNL1111111111 -0.3044 18 C -4.6043 1.9118 -0.4655 C.ar 1 UNL1111111111 0.1731 19 C 2.6887 -1.2483 -1.1641 C.3 1 UNL1111111111 -0.4507 20 C 4.8806 0.0204 0.5030 C.ar 1 UNL1111111111 0.1440 21 C -5.4389 2.3244 1.8585 C.3 1 UNL1111111111 -0.4327 22 C 4.7677 1.3836 0.4691 C.ar 1 UNL1111111111 -0.2854 23 C 5.9805 1.8779 -0.1427 C.ar 1 UNL1111111111 -0.0353 24 C 6.7426 0.7776 -0.4319 C.ar 1 UNL1111111111 -0.0786 25 C 6.2906 3.2963 -0.3877 C.3 1 UNL1111111111 -0.4256 26 H 0.2349 -2.9603 0.0551 H 1 UNL1111111111 0.1488 27 H -0.4955 -2.5266 1.6080 H 1 UNL1111111111 0.1564 28 H 0.2049 -0.4611 -0.5904 H 1 UNL1111111111 0.1507 29 H -0.4363 -0.0907 1.0065 H 1 UNL1111111111 0.1556 30 H -1.1964 -2.4775 -2.1774 H 1 UNL1111111111 0.1589 31 H -3.4508 -3.6730 -0.4312 H 1 UNL1111111111 0.1632 32 H -2.5958 -3.9250 1.0899 H 1 UNL1111111111 0.1638 33 H -1.8431 -4.4239 -0.4383 H 1 UNL1111111111 0.1535 34 H -2.4178 -0.4457 -3.0131 H 1 UNL1111111111 0.1548 35 H 1.6161 -0.7177 2.1151 H 1 UNL1111111111 0.1478 36 H -3.9811 0.0159 2.2931 H 1 UNL1111111111 0.1782 37 H -3.8720 1.5378 -2.4608 H 1 UNL1111111111 0.1602 38 H 3.9463 -1.0439 2.0881 H 1 UNL1111111111 0.1703 39 H 4.5257 -2.0747 0.7758 H 1 UNL1111111111 0.1745 40 H 3.6897 -1.4607 -1.5632 H 1 UNL1111111111 0.1551 41 H 2.0339 -2.0779 -1.4639 H 1 UNL1111111111 0.1556 42 H 2.3299 -0.3448 -1.6815 H 1 UNL1111111111 0.1619 43 H -5.0702 3.3630 1.8911 H 1 UNL1111111111 0.1677 44 H -6.4982 2.3852 1.5580 H 1 UNL1111111111 0.1676 45 H -5.4039 1.9250 2.8794 H 1 UNL1111111111 0.1522 46 H 3.9582 1.9897 0.8115 H 1 UNL1111111111 0.1746 47 H -5.2375 3.2824 -1.7082 H 1 UNL1111111111 0.3192 48 H 7.6932 0.6013 -0.8699 H 1 UNL1111111111 0.1694 49 H 6.2725 3.8779 0.5478 H 1 UNL1111111111 0.1599 50 H 7.2819 3.4388 -0.8402 H 1 UNL1111111111 0.1519 51 H 5.5531 3.7554 -1.0653 H 1 UNL1111111111 0.1601 @BOND 1 1 4 1 2 1 9 1 3 2 20 ar 4 2 24 ar 5 3 18 1 6 3 47 1 7 4 5 1 8 4 7 1 9 4 8 1 10 5 6 1 11 5 26 1 12 5 27 1 13 6 12 1 14 6 28 1 15 6 29 1 16 7 11 2 17 7 30 1 18 8 31 1 19 8 32 1 20 8 33 1 21 9 10 ar 22 9 14 ar 23 10 11 1 24 10 15 ar 25 11 34 1 26 12 13 2 27 12 35 1 28 13 17 1 29 13 19 1 30 14 16 ar 31 14 36 1 32 15 18 ar 33 15 37 1 34 16 18 ar 35 16 21 1 36 17 20 1 37 17 38 1 38 17 39 1 39 19 40 1 40 19 41 1 41 19 42 1 42 20 22 ar 43 21 43 1 44 21 44 1 45 21 45 1 46 22 23 ar 47 22 46 1 48 23 24 ar 49 23 25 1 50 24 48 1 51 25 49 1 52 25 50 1 53 25 51 1