BK0MO7 -OEChem-04012114202D 57 60 0 1 0 0 0 0 0999 V2000 7.6651 1.7140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.6565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 3.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6385 2.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0521 3.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.8466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 1.0386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 1.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1626 3.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8083 2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1962 3.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4836 4.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5387 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4862 1.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2790 1.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8572 3.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 3.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 17 3 1 6 0 0 0 3 45 1 0 0 0 0 18 4 1 6 0 0 0 4 46 1 0 0 0 0 5 22 2 0 0 0 0 20 6 1 1 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 44 1 0 0 0 0 8 27 2 0 0 0 0 8 28 1 0 0 0 0 23 9 1 6 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 24 2 0 0 0 0 10 30 1 0 0 0 0 11 29 1 0 0 0 0 11 30 2 0 0 0 0 12 29 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 1 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 30 55 1 0 0 0 0 M END $$$$