MMs02518443 MOE2007 2D CORINA 3.40 0006 02.08.2006 69 73 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 1.5000 0.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -3.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -3.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5102 -2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 -5.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 -6.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -6.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 -7.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7859 -9.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -9.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -7.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 -5.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -5.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -5.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 -7.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9343 -8.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -7.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 -8.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -7.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -4.4232 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 -5.1681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1186 -3.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2813 -6.6592 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1298 -5.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 -6.9653 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9497 -6.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4946 -5.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 -4.5525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6456 -4.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7925 -3.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 -2.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7107 1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5233 -1.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6631 -0.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3359 -3.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 -8.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8576 -8.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 -9.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 -7.6673 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 -2.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -0.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 -5.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 -7.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -10.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -10.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 -7.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 -4.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -5.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 -9.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -7.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -6.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 -6.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -8.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 -2.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 0.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 -8.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 -9.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 51 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 13 14 2 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 43 44 1 0 0 0 0 43 68 1 0 0 0 0 43 69 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 46 -1 M END