MMs02495298 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 66 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 0.0487 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -2.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 -0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -2.5783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3366 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 -1.2068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2506 0.1646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8506 1.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4588 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9596 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1662 2.7613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3744 4.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0818 5.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 6.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7498 0.2134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5416 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8342 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0408 -1.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8326 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3318 -2.2372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5318 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1236 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6228 -3.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 0.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -0.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -1.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -3.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 -4.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -2.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6219 0.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 0.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -3.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 -3.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 -3.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -3.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4769 -2.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 -2.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 -1.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 2.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 3.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4306 4.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3157 1.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7942 0.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1545 -0.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7189 -2.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0793 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2386 -0.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5810 5.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4162 -4.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0392 -0.9144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4058 0.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0497 -5.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1469 6.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 61 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 60 63 1 0 0 0 0 61 66 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END