MMs02494718 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 51 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 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 -1.3072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0453 -1.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -2.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -1.3126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1453 -2.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 1.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 1.2747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3546 0.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 3.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0093 2.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8999 -1.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7546 1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 -1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7452 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 0.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 -1.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 -3.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 -3.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5962 -1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 1.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 3.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 4.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4640 3.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2683 5.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0601 5.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4225 6.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 4.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 -1.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1285 1.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4673 2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3584 2.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -3.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4906 -2.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 -2.6143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -2.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0868 -3.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 50 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 34 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 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 48 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END