@MOLECULE oppositol 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.4765 -0.4646 -0.1316 Br 1 UNL1111111111 -0.1748 2 O 0.8895 1.7730 1.4025 O.3 1 UNL1111111111 -0.5595 3 C -0.5843 -0.4364 0.1961 C.3 1 UNL1111111111 0.0702 4 C 0.7444 0.1815 -0.3464 C.3 1 UNL1111111111 -0.1729 5 C 1.8221 -0.7976 0.1611 C.3 1 UNL1111111111 -0.0989 6 C 0.8783 1.6675 -0.0064 C.3 1 UNL1111111111 0.3239 7 C -0.3823 -1.9273 -0.1642 C.3 1 UNL1111111111 -0.2949 8 C -1.6950 0.2870 -0.5679 C.3 1 UNL1111111111 -0.0736 9 C 1.1222 -2.1880 0.0737 C.3 1 UNL1111111111 -0.2699 10 C -0.3415 2.4280 -0.5901 C.3 1 UNL1111111111 -0.3357 11 C -1.6912 1.7806 -0.2432 C.3 1 UNL1111111111 -0.2820 12 C -0.7524 -0.3220 1.7125 C.3 1 UNL1111111111 -0.4476 13 C 2.1780 2.2710 -0.5535 C.3 1 UNL1111111111 -0.5191 14 C 3.0547 -0.7767 -0.6781 C.2 1 UNL1111111111 -0.2487 15 C 4.2996 -0.6514 -0.1986 C.2 1 UNL1111111111 0.0536 16 C 5.4829 -0.6544 -1.1121 C.3 1 UNL1111111111 -0.4571 17 C 4.6157 -0.5047 1.2531 C.3 1 UNL1111111111 -0.4587 18 H 0.7287 0.1154 -1.4659 H 1 UNL1111111111 0.1442 19 H 2.0512 -0.5572 1.2257 H 1 UNL1111111111 0.1569 20 H -0.6568 -2.1280 -1.2115 H 1 UNL1111111111 0.1367 21 H -1.0119 -2.5890 0.4494 H 1 UNL1111111111 0.1492 22 H -1.6067 0.1147 -1.6605 H 1 UNL1111111111 0.1494 23 H 1.2841 -2.7521 1.0045 H 1 UNL1111111111 0.1368 24 H 1.5488 -2.7979 -0.7369 H 1 UNL1111111111 0.1388 25 H -0.2306 2.4933 -1.6886 H 1 UNL1111111111 0.1470 26 H -0.3343 3.4699 -0.2212 H 1 UNL1111111111 0.1450 27 H -1.9045 1.9442 0.8349 H 1 UNL1111111111 0.1647 28 H -2.4995 2.3039 -0.7908 H 1 UNL1111111111 0.1476 29 H -1.5631 -0.9576 2.0825 H 1 UNL1111111111 0.1462 30 H 0.1647 -0.6178 2.2366 H 1 UNL1111111111 0.1569 31 H -0.9611 0.7062 2.0344 H 1 UNL1111111111 0.1634 32 H 2.2876 2.0953 -1.6279 H 1 UNL1111111111 0.1577 33 H 2.2371 3.3486 -0.3799 H 1 UNL1111111111 0.1466 34 H 3.0455 1.8034 -0.0648 H 1 UNL1111111111 0.1729 35 H 2.8742 -0.8842 -1.7462 H 1 UNL1111111111 0.1466 36 H 1.0687 2.6894 1.6829 H 1 UNL1111111111 0.3091 37 H 5.2083 -0.7962 -2.1651 H 1 UNL1111111111 0.1497 38 H 6.0360 0.2931 -1.0465 H 1 UNL1111111111 0.1537 39 H 6.1824 -1.4611 -0.8503 H 1 UNL1111111111 0.1555 40 H 5.6778 -0.3057 1.4397 H 1 UNL1111111111 0.1498 41 H 4.0483 0.3211 1.7093 H 1 UNL1111111111 0.1617 42 H 4.3550 -1.4185 1.8076 H 1 UNL1111111111 0.1598 @BOND 1 1 8 1 2 2 6 1 3 2 36 1 4 3 4 1 5 3 7 1 6 3 8 1 7 3 12 1 8 4 5 1 9 4 6 1 10 4 18 1 11 5 9 1 12 5 14 1 13 5 19 1 14 6 10 1 15 6 13 1 16 7 9 1 17 7 20 1 18 7 21 1 19 8 11 1 20 8 22 1 21 9 23 1 22 9 24 1 23 10 11 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1 34 14 15 2 35 14 35 1 36 15 16 1 37 15 17 1 38 16 37 1 39 16 38 1 40 16 39 1 41 17 40 1 42 17 41 1 43 17 42 1