MMs00709308 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 38 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 -0.7556 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 2.5981 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0474 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6635 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7918 1.7128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7833 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0888 4.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4156 2.2071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.2829 1.8761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.4829 1.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1698 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6609 0.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5478 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0389 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8871 3.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3781 3.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9341 -2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -2.3996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 -2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0936 0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5056 -0.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3252 1.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7372 1.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -3.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9437 -1.7530 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.0001 4.4587 0.0000 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 34 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M END