L5QKR8 -OEChem-05022323022D 45 47 0 1 0 0 0 0 0999 V2000 6.3301 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 -0.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 41 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 12 2 0 0 0 0 5 14 2 0 0 0 0 9 6 1 1 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 8 25 2 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$