MMs02446086 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 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 -1.2968 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5891 3.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 4.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 2.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 0.7461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0610 -2.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3758 -2.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 -0.5195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2811 0.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4628 -0.3672 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6628 -0.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 2.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3408 -1.5834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 -2.6472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3111 -3.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 -2.4949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -2.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0814 -3.7111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6814 -4.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5736 -3.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 -4.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9439 -4.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5581 -3.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8220 -5.8387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 -5.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8176 -1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 -3.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.0078 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8495 -2.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2463 -2.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6538 -3.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3306 -6.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0158 -5.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1696 -6.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0114 -1.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -4.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 -4.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -3.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 -4.0157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7993 -4.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0606 2.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 38 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 37 1 0 0 0 0 32 33 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 46 1 0 0 0 0 36 47 1 0 0 0 0 37 48 1 0 0 0 0 38 49 1 0 0 0 0 39 51 1 0 0 0 0 40 52 1 0 0 0 0 50 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END