D0K3UQ -OEChem-10101305022D 51 53 0 0 0 0 0 0 0999 V2000 7.1962 -3.6830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5263 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 1.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 2.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7163 4.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 3.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 3.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 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 16 1 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 7 19 1 0 0 0 0 7 44 1 0 0 0 0 8 29 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 31 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 45 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$