BO2YP3 -OEChem-04022102412D 59 60 0 0 0 0 0 0 0999 V2000 2.3660 1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 5 34 1 0 0 0 0 6 34 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 20 2 0 0 0 0 9 32 2 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 11 42 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 12 46 1 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 56 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 25 33 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 26 34 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END $$$$