E0RF4X -OEChem-05082103122D 57 54 0 1 0 0 0 0 0999 V2000 2.8660 -2.3100 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.9282 3.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 28 2 0 0 0 0 10 29 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 14 50 1 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 26 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M CHG 5 1 2 2 1 3 -1 7 -1 8 -1 M END $$$$