B2OR3E -OEChem-04012112283D 40 42 0 0 0 0 0 0 0999 V2000 6.6309 1.3761 -0.0828 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -3.9485 -0.0346 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 1.9056 0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 1.4675 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 -0.3952 0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 0.8169 0.1114 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2866 -0.8134 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -0.2579 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.7943 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 -1.5044 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 -0.0859 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 0.6817 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 1.5748 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 2.2059 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 1.7484 1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 1.7351 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 1.6371 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 1.6238 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3834 -2.5789 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 -1.1603 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 -2.4069 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 0.1946 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5477 0.0410 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -1.2571 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -2.3337 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.0608 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 -1.6778 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 0.8629 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 2.8815 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4818 2.2224 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 2.5558 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 1.7977 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 1.7741 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 1.6010 2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 1.5773 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -3.5466 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9868 -1.0280 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3306 -3.2430 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 -1.4313 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 -2.8570 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 22 1 0 0 0 0 7 26 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 11 20 2 0 0 0 0 11 28 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$