B7K5PI -OEChem-04022105392D 44 44 0 0 0 0 0 0 0999 V2000 5.4641 4.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 4.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 5.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 16 1 0 0 0 0 7 41 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$