MMs01843380 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 0.7474 -1.3006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9947 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -3.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -5.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 -3.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -4.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -2.2952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2533 -0.1909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -0.0564 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 3.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 1.4383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 -3.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 -2.8405 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6922 -3.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1155 -3.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -3.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 -4.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -5.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 -6.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 -6.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1959 -4.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0832 -3.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3980 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8256 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9382 -3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 -4.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -1.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 0.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5645 2.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6282 -4.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 -4.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -4.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6767 -4.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1988 -6.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2017 -8.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7712 -7.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5079 -1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0774 -0.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0803 -2.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5136 -5.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4596 -1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M END