BDT4S3 -OEChem-04012115222D 52 54 0 0 0 0 0 0 0999 V2000 9.5697 -6.5483 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3787 -5.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 -5.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5478 -6.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 3.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 5.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -4.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -5.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5076 -4.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 6.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6644 -5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 29 1 0 0 0 0 2 11 2 0 0 0 0 3 21 1 0 0 0 0 3 49 1 0 0 0 0 4 23 1 0 0 0 0 4 50 1 0 0 0 0 5 25 2 0 0 0 0 6 16 1 0 0 0 0 6 25 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$