B68SHV -OEChem-04012120182D 49 50 0 1 0 0 0 0 0999 V2000 16.7260 -0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.7260 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.8660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1424 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2260 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2260 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 1.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -0.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6183 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1183 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9160 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9160 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5360 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5360 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 18 1 0 0 0 0 8 43 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 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$