MMs02189557 MOE2007 2D CORINA 3.40 0006 02.08.2006 69 69 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 0.6364 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 1.1728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -1.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 -2.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 3.9559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2865 4.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 3.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 5.2113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 5.1824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8609 6.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 3.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 3.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4102 2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 6.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 5.2692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 5.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 4.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 6.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 6.6403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 7.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 9.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9871 7.9824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1871 7.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 6.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2617 6.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0366 5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5363 5.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -0.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 -0.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 1.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9926 3.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3813 6.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 2.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4998 5.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8207 4.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 2.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 3.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 2.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0148 0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5816 6.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 6.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 7.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 5.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 6.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9931 5.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0306 7.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3812 7.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9171 5.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2677 4.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3052 6.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6559 5.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5110 4.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 10.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6347 1.1847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 1.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 7.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3113 4.1873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7314 3.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7119 9.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9117 9.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 8.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 62 1 0 0 0 0 19 20 2 0 0 0 0 19 64 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 67 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 65 1 0 0 0 0 47 62 1 0 0 0 0 60 65 1 0 0 0 0 61 67 1 0 0 0 0 62 63 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 M END