B7NMR0 -OEChem-04022106172D 38 40 0 1 0 0 0 0 0999 V2000 5.9641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0981 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.1160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 0.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 -1.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 0.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1246 2.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 2.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 4.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9892 4.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 4 2 1 6 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 13 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 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 M END $$$$