MMs01789859 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 2.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 -1.3297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 -1.3385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1423 -2.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7574 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2574 1.2332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0150 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2726 3.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5150 2.5191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4847 -2.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9847 -2.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 3.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7272 3.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4847 2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1193 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 2.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 3.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 -1.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 -2.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3747 0.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7152 1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7846 -1.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1251 -0.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6322 1.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9727 2.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8513 0.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1210 3.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1089 1.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -0.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3586 -0.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 1.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 3.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 2.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7271 -3.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3210 -4.9792 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M END