L3QE6P -OEChem-05032300262D 40 43 0 1 0 0 0 0 0999 V2000 3.4030 -2.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6350 -0.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6350 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0812 -1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 0.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -3.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -1.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -1.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -3.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -3.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -3.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -3.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 4.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 1.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 18 2 0 0 0 0 11 5 1 1 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 10 6 1 1 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 19 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 1 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 6 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 M END $$$$