BE31IR -OEChem-04012118522D 40 42 0 1 0 0 0 0 0999 V2000 2.0000 -4.2852 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 2.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2148 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4071 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 1.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 3.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 4.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 4.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$