B79BVW -OEChem-04022108002D 38 40 0 0 0 0 0 0 0999 V2000 7.8564 1.5817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.6818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 2.3907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 -0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 1.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 1.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 1.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -0.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 -0.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7551 0.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$