MMs01994652 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 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 0.7421 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 -3.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 -2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -3.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 -5.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 -3.9381 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -5.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7353 -2.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2261 -3.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 -2.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 -2.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2261 -3.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4682 -5.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 -5.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7261 -3.9746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -1.3309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -1.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 2.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2768 3.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 2.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 1.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -0.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -6.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 -1.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0903 -1.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 -6.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 -6.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -0.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 1.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 2.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4238 0.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 -0.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 -1.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 4.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 3.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7103 2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -5.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 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 5 54 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 37 1 0 0 0 0 10 54 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END