BY86EO -OEChem-04022105012D 45 47 0 0 0 0 0 0 0999 V2000 9.8547 1.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.7896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4545 3.2406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -0.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 1.6714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 2.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 3.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7867 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -1.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1644 1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1448 2.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 2.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0397 3.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3052 4.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 4.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3726 4.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3252 3.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 14 2 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$