B4B2TU -OEChem-04022105042D 27 29 0 0 0 0 0 0 0999 V2000 9.4758 0.7222 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 1.0010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 2.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5241 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 20 2 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 14 2 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$