B3ET7X -OEChem-04022105022D 45 45 0 1 0 0 0 0 0999 V2000 4.4004 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3979 6.1772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 4.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 9.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 3.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.1772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 8.1773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.6772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2018 5.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 4.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 3.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 6.6772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4418 5.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 6.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 3.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 4.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 6.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 7.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2640 6.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 4.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 5.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 5.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 6.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 6.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 5.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 7.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 7.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 7.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 6.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 6.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 7.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 9.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 44 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 14 1 0 0 0 0 15 7 1 6 0 0 0 7 31 1 0 0 0 0 8 22 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 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 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$