DR1111 -OEChem-05042004012D 77 80 0 1 0 0 0 0 0999 V2000 2.0000 -1.7742 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -1.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.7885 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.9224 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7980 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2730 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1078 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5827 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2273 1.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0004 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1534 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1534 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3804 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2273 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 24 1 0 0 0 0 6 71 1 0 0 0 0 7 34 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 22 2 0 0 0 0 18 56 1 0 0 0 0 19 23 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 29 1 0 0 0 0 23 26 2 0 0 0 0 23 58 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 28 32 2 0 0 0 0 28 62 1 0 0 0 0 29 33 2 0 0 0 0 29 69 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 35 37 2 0 0 0 0 35 73 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 42 77 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$