B8DBC2 -OEChem-04012117402D 48 50 0 0 0 0 0 0 0999 V2000 9.9282 -0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 -0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 0.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 1.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4344 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8144 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 16 2 0 0 0 0 6 26 1 0 0 0 0 6 28 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 35 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 24 1 0 0 0 0 10 41 1 0 0 0 0 11 24 1 0 0 0 0 11 27 2 0 0 0 0 12 26 2 0 0 0 0 12 27 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 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$