BTL95I -OEChem-04012119252D 41 42 0 1 0 0 0 0 0999 V2000 6.4641 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 5 10 2 0 0 0 0 7 6 1 1 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 13 21 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$