MMs00025962 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 63 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 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 1.2822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8596 2.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 2.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 3.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 1.2710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -1.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0447 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3998 0.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2595 1.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6595 2.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2401 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 -1.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9805 -2.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 -2.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -3.9473 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3208 -4.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 -5.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 -5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0191 2.5309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 2.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 1.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2787 3.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7787 3.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 5.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 -1.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 -2.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2839 -0.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 4.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 4.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 3.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 2.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9767 2.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9247 0.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9132 -0.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3646 -1.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0229 -2.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 -4.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 -6.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -5.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -5.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5532 -6.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0047 -4.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4269 3.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 4.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4959 4.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5731 4.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1461 6.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 5.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2207 -3.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 -2.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 62 63 1 0 0 0 0 M END