BES4I5 -OEChem-04012114172D 53 56 0 0 0 0 0 0 0999 V2000 2.0000 3.4817 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.8453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.8453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 1.8684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 3.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 3.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 3.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 3.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 3.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 0.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 0.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -0.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 -3.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 4.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 4.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 4.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 4.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -3.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 1.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 4.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 4.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 1.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0834 -4.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -4.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3234 -4.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 3.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 15 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$