BO8K3Q -OEChem-04022109503D 27 29 0 0 0 0 0 0 0999 V2000 1.8751 -2.7778 -0.2632 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 -2.5746 0.4455 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -1.0368 0.7652 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 2.3879 0.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 2.1857 -0.6945 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0373 0.7232 0.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 -0.5802 0.4337 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8049 -0.2805 -0.8116 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 1.1274 -0.0207 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0499 -0.2744 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -1.3542 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 1.0000 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -1.2038 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0072 1.1570 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 0.0680 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5169 -1.8605 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -1.2086 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 0.3994 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 0.6404 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 3.4622 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 1.8084 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -2.0494 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 0.1998 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 1.4790 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3529 4.3646 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 3.3056 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 3.6493 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 23 1 0 0 0 0 18 19 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$