BB8RF9 -OEChem-04022106223D 39 42 0 0 0 0 0 0 0999 V2000 -1.9985 -3.0481 -0.7745 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 2.4897 -1.1353 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -3.1342 0.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 -1.8646 -0.9949 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 -1.9164 -1.4661 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 2.2809 0.6551 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 0.3973 -0.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.2747 -0.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 1.6515 1.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 0.9697 1.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -2.8001 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -1.5958 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -2.4501 2.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 -2.5889 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -2.6679 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -1.5422 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -0.4002 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 1.4015 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4435 2.3343 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 2.8627 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 1.8582 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0868 0.7731 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 2.9150 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 1.9105 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 2.4389 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5467 -3.6615 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3019 -0.6089 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 -1.6498 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -2.0350 2.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 -3.0779 3.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -1.2648 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -1.7833 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 2.9306 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 3.2357 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 1.4778 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5359 3.3257 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 1.5475 -2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4631 1.7455 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 0.3326 1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 25 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 33 1 0 0 0 0 7 17 1 0 0 0 0 7 18 2 0 0 0 0 8 17 2 0 0 0 0 8 22 1 0 0 0 0 9 18 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$