@MOLECULE eckol 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3271 -0.1141 0.8690 O.3 1 UNL1111111111 -0.1961 2 O 2.8709 0.9886 0.0517 O.3 1 UNL1111111111 -0.1728 3 O -1.8888 1.4554 0.9314 O.3 1 UNL1111111111 -0.2025 4 O 2.9795 3.5372 -0.6405 O.3 1 UNL1111111111 -0.4181 5 O -1.7635 3.9987 0.0959 O.3 1 UNL1111111111 -0.4102 6 O 0.0542 -2.8556 0.8635 O.3 1 UNL1111111111 -0.4306 7 O 4.5426 -3.4469 -0.2430 O.3 1 UNL1111111111 -0.4560 8 O -4.9696 -2.1013 0.9683 O.3 1 UNL1111111111 -0.4634 9 O -2.1203 -1.5526 -2.7600 O.3 1 UNL1111111111 -0.4586 10 C 0.4674 1.1788 0.4659 C.ar 1 UNL1111111111 0.2022 11 C 1.6951 1.7226 0.0823 C.ar 1 UNL1111111111 -0.0811 12 C -0.6971 1.9536 0.4584 C.ar 1 UNL1111111111 -0.0558 13 C 1.4216 -0.8964 0.5197 C.ar 1 UNL1111111111 -0.1709 14 C 2.6580 -0.3593 0.1609 C.ar 1 UNL1111111111 0.2720 15 C 1.7631 3.0719 -0.2873 C.ar 1 UNL1111111111 0.3333 16 C -0.6081 3.3036 0.0831 C.ar 1 UNL1111111111 0.3331 17 C 0.6160 3.8736 -0.2798 C.ar 1 UNL1111111111 -0.4680 18 C 1.2370 -2.2851 0.5659 C.ar 1 UNL1111111111 0.3598 19 C 3.7495 -1.1814 -0.1054 C.ar 1 UNL1111111111 -0.4308 20 C 3.5432 -2.5647 -0.0116 C.ar 1 UNL1111111111 0.3793 21 C 2.3107 -3.1399 0.3095 C.ar 1 UNL1111111111 -0.3771 22 C -2.3950 0.3802 0.2509 C.ar 1 UNL1111111111 0.3476 23 C -1.9638 -0.0441 -1.0021 C.ar 1 UNL1111111111 -0.4362 24 C -3.4121 -0.2732 0.9609 C.ar 1 UNL1111111111 -0.4757 25 C -3.9907 -1.3916 0.3619 C.ar 1 UNL1111111111 0.4082 26 C -2.5815 -1.1762 -1.5462 C.ar 1 UNL1111111111 0.4029 27 C -3.5913 -1.8787 -0.8877 C.ar 1 UNL1111111111 -0.4712 28 H 0.6759 4.9177 -0.5583 H 1 UNL1111111111 0.1771 29 H 4.7075 -0.7576 -0.3775 H 1 UNL1111111111 0.1866 30 H 2.1893 -4.2188 0.3546 H 1 UNL1111111111 0.2041 31 H -1.1893 0.4719 -1.5590 H 1 UNL1111111111 0.1982 32 H -3.7226 0.0918 1.9308 H 1 UNL1111111111 0.1871 33 H 2.9498 4.4986 -0.8873 H 1 UNL1111111111 0.3268 34 H -1.6268 4.9470 -0.1644 H 1 UNL1111111111 0.3244 35 H -4.0610 -2.7578 -1.3074 H 1 UNL1111111111 0.1883 36 H -0.6716 -2.1753 0.9472 H 1 UNL1111111111 0.3474 37 H 5.3959 -2.9987 -0.4688 H 1 UNL1111111111 0.3313 38 H -5.2319 -1.7142 1.8410 H 1 UNL1111111111 0.3331 39 H -2.5703 -2.3667 -3.0988 H 1 UNL1111111111 0.3322 @BOND 1 1 10 1 2 1 13 1 3 2 11 1 4 2 14 1 5 3 12 1 6 3 22 1 7 4 15 1 8 4 33 1 9 5 16 1 10 5 34 1 11 6 18 1 12 6 36 1 13 7 20 1 14 7 37 1 15 8 25 1 16 8 38 1 17 9 26 1 18 9 39 1 19 10 11 ar 20 10 12 ar 21 11 15 ar 22 12 16 ar 23 13 14 ar 24 13 18 ar 25 14 19 ar 26 15 17 ar 27 16 17 ar 28 17 28 1 29 18 21 ar 30 19 20 ar 31 19 29 1 32 20 21 ar 33 21 30 1 34 22 23 ar 35 22 24 ar 36 23 26 ar 37 23 31 1 38 24 25 ar 39 24 32 1 40 25 27 ar 41 26 27 ar 42 27 35 1