MMs00050677 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -1.4999 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 2.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 3.9033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 3.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 2.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 5.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4557 5.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 6.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4556 5.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 3.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 3.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9555 5.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 6.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 7.8832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3891 7.3168 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9998 5.8389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7387 -1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 -2.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7388 -1.3309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -3.9289 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.2387 -1.3691 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.7608 1.2416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0911 -1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 4.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 6.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 7.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2857 7.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3254 2.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 2.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 2.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 41 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 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END