EXO0678 -OEChem-04222010202D 57 60 0 1 0 0 0 0 0999 V2000 5.4641 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.3647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 2.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 2.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 2.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6934 1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 2.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 3.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 44 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 15 2 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 22 2 0 0 0 0 8 26 1 0 0 0 0 8 29 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M CHG 2 2 -1 8 1 M END $$$$