MMs01286768 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 0.7413 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2587 -1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 -1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 -2.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 -0.2819 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -2.5139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5381 -2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8320 -1.7377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 -3.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -1.2172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8026 -2.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7026 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4439 0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6852 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4439 0.0768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8439 1.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9788 -0.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8574 0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 2.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 -3.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7729 -3.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3156 -3.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5021 -2.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8329 -1.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6438 0.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2782 2.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3856 2.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0548 1.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 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 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 25 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 23 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M END