D0M3JI -OEChem-04152110482D 42 43 0 0 0 0 0 0 0999 V2000 3.0000 -5.1555 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.3445 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.0000 -1.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 2.8391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.3445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 3.0470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1555 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.0614 -0.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6456 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 3.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 2.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 5.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3992 3.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 4.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 4.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 2.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 1.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 2.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 2.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 5.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 3.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 5.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 15 2 0 0 0 0 10 17 1 0 0 0 0 11 28 3 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 25 1 0 0 0 0 21 36 1 0 0 0 0 22 26 2 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 25 29 2 0 0 0 0 25 40 1 0 0 0 0 26 29 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 2 3 1 10 -1 M END $$$$