MMs02494714 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 54 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 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 -1.3160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0401 -1.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 -2.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -1.3273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1401 -2.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 1.2480 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3596 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 3.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 3.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 5.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2596 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0194 2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8997 -1.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7595 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5193 2.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -0.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7398 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 0.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 -2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -3.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -3.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -1.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0944 1.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 3.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 4.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 3.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 5.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0828 5.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 6.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 4.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3919 -1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1350 1.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 2.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1957 -0.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6996 -0.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -3.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4801 -2.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -2.6320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 -2.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0722 -3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END