MMs02457552 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 2.5762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 2.5652 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9188 3.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 1.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7593 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 5.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 1.3263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0432 2.0931 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0432 3.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3367 2.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6412 2.1120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6521 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3586 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3695 -1.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -2.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 -2.3878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6827 -3.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9675 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9566 -0.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2720 -2.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0541 0.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 -1.3107 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 -1.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 3.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 3.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 0.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 0.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5595 2.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 1.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 3.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0933 3.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5587 3.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1013 3.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6760 2.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3068 -1.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2807 -3.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7404 -1.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7782 3.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 4.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3328 -2.3918 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 52 1 0 0 0 0 16 17 2 0 0 0 0 16 53 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END