MMs01198017 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 48 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 0.7489 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 3.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 4.0507 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9043 4.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0584 5.5177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 5.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2182 2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2155 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6857 2.4408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6884 1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2237 -0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1559 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6207 3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0882 3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0909 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6262 0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1587 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6939 -0.9059 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 3.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 1.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 7.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 7.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 1.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5557 -0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5873 4.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0575 3.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8185 3.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4600 4.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2649 2.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4284 -0.0616 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 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 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 M END