B5K0QS -OEChem-04022101532D 46 49 0 0 0 0 0 0 0999 V2000 5.4641 -0.2360 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.1300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.3980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.9312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -3.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 -1.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 8 29 1 0 0 0 0 8 32 1 0 0 0 0 9 22 2 0 0 0 0 10 17 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 21 2 0 0 0 0 16 24 1 0 0 0 0 16 26 2 0 0 0 0 17 20 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 23 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 24 29 2 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 30 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 M END $$$$