B8A9YJ -OEChem-04012114042D 45 48 0 1 0 0 0 0 0999 V2000 2.0000 -4.5161 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 3.9814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 1.3936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -1.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 2.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 1.3936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 2.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -0.3665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -1.9845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 3.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0322 2.9814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1382 4.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 4.0022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1382 2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 4.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 4.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 2.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -3.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -2.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -3.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 4.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 4.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 4.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 3.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 1.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 4.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 4.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 5.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 4.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 3.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 -0.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1672 2.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 1.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -3.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -4.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -2.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 22 2 0 0 0 0 6 12 1 0 0 0 0 6 19 2 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 42 1 0 0 0 0 10 23 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 6 0 0 0 12 15 1 0 0 0 0 12 17 1 6 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 1 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 21 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M END $$$$