BA98DC -OEChem-04022103263D 40 42 0 0 0 0 0 0 0999 V2000 2.7004 -1.7718 2.0112 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 -1.3504 -0.8980 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2247 -0.8898 -1.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -2.1965 -1.7786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 3.4194 0.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 3.2203 0.4658 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 -2.1596 0.6167 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6093 0.4743 -0.3829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 0.7382 0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 1.1044 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 0.0519 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4714 2.2786 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -0.0301 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 1.3749 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6035 1.2372 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 2.3753 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 2.6836 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 -2.6058 1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1515 -1.6198 1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 -0.1723 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 -1.3607 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 0.1328 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -2.2441 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5949 -0.7506 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -1.9390 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 -0.9510 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6884 1.3007 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 3.2971 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 4.1700 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -3.4015 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -1.7788 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -3.0225 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3514 -2.3489 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 -0.6890 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 -1.4451 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 4.3091 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 1.0566 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.1743 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -0.5130 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 -2.6267 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 29 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$