BATE46 -OEChem-04022101072D 37 39 0 0 0 0 0 0 0999 V2000 4.2232 -1.6700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -2.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.7262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 5.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 -0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 0.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 -0.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -5.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 2.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 5.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 5.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 9 2 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 32 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$