B1TXR4 -OEChem-04022101252D 44 44 0 1 0 0 0 0 0999 V2000 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 44 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$