B4VRQ9 -OEChem-04012116202D 43 45 0 0 0 0 0 0 0999 V2000 2.0000 -3.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 17 2 0 0 0 0 3 23 1 0 0 0 0 4 22 1 0 0 0 0 4 23 2 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 22 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$