D0Z5VQ -OEChem-10101305022D 49 50 0 1 0 0 0 0 0999 V2000 2.0000 0.2172 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 -3.3372 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.9641 3.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5194 -2.3373 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7875 -2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 2.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8106 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6592 -1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 3.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 3.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 3.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2013 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5918 -0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 2.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2801 -0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8895 -0.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9044 1.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4028 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 9 8 1 1 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 12 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 13 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 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 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 $$$$