@MOLECULE dysokusone e 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.1551 0.7134 -1.0193 O.2 1 UNL1111111111 -0.4718 2 O 6.0002 -0.1901 0.4692 O.3 1 UNL1111111111 -0.5767 3 C -2.7993 -0.5907 -0.6949 C.3 1 UNL1111111111 0.1093 4 C -2.4949 -0.0256 0.7225 C.3 1 UNL1111111111 -0.1692 5 C -2.1266 -1.9728 -0.8381 C.3 1 UNL1111111111 -0.2957 6 C -0.9809 0.0857 0.9447 C.3 1 UNL1111111111 -0.2764 7 C -0.3129 -1.2938 0.7864 C.3 1 UNL1111111111 -0.1277 8 C -0.6168 -1.8994 -0.5954 C.3 1 UNL1111111111 -0.2691 9 C -4.3255 -0.7711 -0.8182 C.3 1 UNL1111111111 -0.4224 10 C -3.2391 1.2621 0.9516 C.2 1 UNL1111111111 0.1399 11 C -2.3169 0.3502 -1.8065 C.3 1 UNL1111111111 -0.4651 12 C -5.0694 0.5115 -0.5260 C.2 1 UNL1111111111 0.4971 13 C 1.1815 -1.1736 0.9763 C.2 1 UNL1111111111 0.0443 14 C -4.4374 1.4765 0.3831 C.2 1 UNL1111111111 -0.3868 15 C -2.6380 2.2695 1.8686 C.3 1 UNL1111111111 -0.4710 16 C 1.7272 -2.0028 2.0868 C.3 1 UNL1111111111 -0.4593 17 C 1.9197 -0.3817 0.1801 C.2 1 UNL1111111111 -0.2397 18 C 3.3606 -0.2188 0.2681 C.2 1 UNL1111111111 -0.0995 19 C 4.0507 0.5285 -0.6039 C.2 1 UNL1111111111 -0.2275 20 C 5.5418 0.6986 -0.5400 C.3 1 UNL1111111111 0.3507 21 C 5.9049 2.1330 -0.1322 C.3 1 UNL1111111111 -0.5041 22 C 6.1921 0.3058 -1.8734 C.3 1 UNL1111111111 -0.5057 23 H -2.8960 -0.7630 1.4723 H 1 UNL1111111111 0.1578 24 H -2.5836 -2.6897 -0.1307 H 1 UNL1111111111 0.1377 25 H -2.3225 -2.3799 -1.8480 H 1 UNL1111111111 0.1435 26 H -0.7604 0.4752 1.9566 H 1 UNL1111111111 0.1404 27 H -0.5412 0.8138 0.2381 H 1 UNL1111111111 0.1497 28 H -0.7415 -1.9752 1.5636 H 1 UNL1111111111 0.1416 29 H -0.1298 -1.3049 -1.3914 H 1 UNL1111111111 0.1462 30 H -0.1702 -2.9089 -0.6664 H 1 UNL1111111111 0.1382 31 H -4.5942 -1.1354 -1.8301 H 1 UNL1111111111 0.1766 32 H -4.6908 -1.5535 -0.1233 H 1 UNL1111111111 0.1687 33 H -2.5601 -0.0491 -2.7972 H 1 UNL1111111111 0.1496 34 H -1.2331 0.5012 -1.7718 H 1 UNL1111111111 0.1499 35 H -2.7850 1.3389 -1.7288 H 1 UNL1111111111 0.1549 36 H -5.0150 2.3835 0.5547 H 1 UNL1111111111 0.1805 37 H -2.3653 1.8272 2.8381 H 1 UNL1111111111 0.1640 38 H -3.3175 3.1083 2.0807 H 1 UNL1111111111 0.1635 39 H -1.7229 2.7049 1.4368 H 1 UNL1111111111 0.1691 40 H 1.2729 -1.7279 3.0499 H 1 UNL1111111111 0.1571 41 H 2.8155 -1.9028 2.2090 H 1 UNL1111111111 0.1625 42 H 1.5260 -3.0715 1.9190 H 1 UNL1111111111 0.1585 43 H 1.4367 0.1939 -0.6142 H 1 UNL1111111111 0.1511 44 H 3.8721 -0.7429 1.0814 H 1 UNL1111111111 0.1666 45 H 3.5745 1.0630 -1.4203 H 1 UNL1111111111 0.1488 46 H 5.4917 2.8645 -0.8332 H 1 UNL1111111111 0.1546 47 H 5.4991 2.3584 0.8628 H 1 UNL1111111111 0.1647 48 H 6.9870 2.2807 -0.0897 H 1 UNL1111111111 0.1473 49 H 5.9693 -0.7433 -2.1096 H 1 UNL1111111111 0.1653 50 H 5.8204 0.9195 -2.6992 H 1 UNL1111111111 0.1547 51 H 7.2800 0.4126 -1.8408 H 1 UNL1111111111 0.1474 52 H 6.9693 -0.1577 0.5491 H 1 UNL1111111111 0.3157 @BOND 1 1 12 2 2 2 20 1 3 2 52 1 4 3 4 1 5 3 5 1 6 3 9 1 7 3 11 1 8 4 6 1 9 4 10 1 10 4 23 1 11 5 8 1 12 5 24 1 13 5 25 1 14 6 7 1 15 6 26 1 16 6 27 1 17 7 8 1 18 7 13 1 19 7 28 1 20 8 29 1 21 8 30 1 22 9 12 1 23 9 31 1 24 9 32 1 25 10 14 2 26 10 15 1 27 11 33 1 28 11 34 1 29 11 35 1 30 12 14 1 31 13 16 1 32 13 17 2 33 14 36 1 34 15 37 1 35 15 38 1 36 15 39 1 37 16 40 1 38 16 41 1 39 16 42 1 40 17 18 1 41 17 43 1 42 18 19 2 43 18 44 1 44 19 20 1 45 19 45 1 46 20 21 1 47 20 22 1 48 21 46 1 49 21 47 1 50 21 48 1 51 22 49 1 52 22 50 1 53 22 51 1