MMs03070970 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 -0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -3.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -3.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -5.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 -2.6249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1883 -2.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 -3.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -6.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 -6.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 -5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2325 -3.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 -5.2430 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 1.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2557 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2441 -1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0115 2.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -4.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 -3.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -4.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -4.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6844 -5.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -7.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -7.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3767 -5.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 -7.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 -7.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8371 -2.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 0.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -0.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 1.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 2.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6557 2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9226 0.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9157 -0.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3699 -1.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 -2.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2673 3.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 4.8967 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 54 55 1 0 0 0 0 M END