MMs02596828 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 -1.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 -1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -3.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2977 -4.2310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 -1.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4599 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9214 -3.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 -1.1647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9373 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4810 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9478 2.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4093 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4040 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8761 0.4340 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 -6.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -6.9075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0973 -7.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -5.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -4.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 -8.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 1.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 0.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6239 -0.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -0.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 0.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3012 -2.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3023 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1118 3.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7520 3.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7732 -1.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8828 -6.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 -7.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 -6.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -5.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -3.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -4.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -8.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -9.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 -8.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END