BKO9T8 -OEChem-04012113092D 40 41 0 1 0 0 0 0 0999 V2000 3.6636 1.9588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5975 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.8656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 3.3601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 3.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.6344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4432 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -3.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -4.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2312 -0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5973 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2173 -0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 0.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 0.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -3.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -3.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -4.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 4.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 13 2 0 0 0 0 4 16 2 0 0 0 0 10 5 1 6 0 0 0 5 16 1 0 0 0 0 5 27 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 23 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 17 30 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 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$