BJ2GT6 -OEChem-04012116052D 45 48 0 1 0 0 0 0 0999 V2000 6.5832 -3.8874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 2.0990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 2.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -1.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 0.6514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -0.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 0.6978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5161 1.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 0.6514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0421 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0267 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 2.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 3.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -2.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 4.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 4.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -2.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4603 -0.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 -0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 -0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 20 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 22 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 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$