B9EJH2 -OEChem-04012113452D 51 52 0 1 0 0 0 0 0999 V2000 7.1962 2.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0413 3.7003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 4.3184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8301 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 4.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 3.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4366 5.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8949 5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 5.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 4.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 3.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 19 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 43 1 0 0 0 0 6 13 3 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$