B2K9RS -OEChem-04012116542D 48 51 0 1 0 0 0 0 0999 V2000 5.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 0.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 7 4 1 1 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M END $$$$