L5DFS2 -OEChem-05022322462D 37 39 0 0 0 0 0 0 0999 V2000 6.3533 -1.5742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -2.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3533 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9746 1.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 0.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 1.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 -1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5569 -0.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 2.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 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 10 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 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 3 0 0 0 0 20 37 1 0 0 0 0 M END $$$$