BM3P7D -OEChem-04012120202D 41 41 0 0 0 0 0 0 0999 V2000 4.5981 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 32 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 37 1 0 0 0 0 15 19 3 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 M END $$$$