MMs00028463 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 1.2934 -0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 -2.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4894 -0.7985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8052 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -0.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3920 -1.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5599 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7697 0.4093 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3697 1.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -0.6979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4472 -1.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4980 -2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9675 -1.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1355 -0.2111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9840 -1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4401 0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7335 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7223 -1.7304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.0381 0.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3315 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3203 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6137 -2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9183 -1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9295 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6361 0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 1.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 -1.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5745 2.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 3.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2509 2.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 -1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 -1.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4434 2.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0840 -2.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1675 -1.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4490 1.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0470 1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2766 -2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6047 -3.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9530 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9731 0.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6450 1.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 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 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 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 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M END