BXVA98 -OEChem-04022106262D 40 42 0 0 0 0 0 0 0999 V2000 3.7088 3.3545 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 2.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 0.8199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 2.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 -0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 -0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 -1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 -1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -1.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 0.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 0.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -0.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0587 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 0.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 2.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -1.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -2.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -3.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$