BX8JA1 -OEChem-04012119522D 54 57 0 0 0 0 0 0 0999 V2000 9.8602 3.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4203 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 2.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 3.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 35 1 0 0 0 0 11 15 2 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 28 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 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 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$