MMs00362868 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 -0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 1.0189 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5532 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 0.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -0.4653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4735 -1.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 -1.3106 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -2.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 -0.0443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1617 0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6289 -0.7647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9106 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8766 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -0.7057 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2656 -1.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5080 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8237 -0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1054 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0714 1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7557 2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 2.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 1.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 0.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -1.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -1.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1580 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0968 2.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7285 3.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4214 2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -0.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -2.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 -2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2604 -2.2054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -2.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3129 -2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 3.6097 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 43 -1 M END