MMs03816714 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 54 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 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -2.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -2.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7399 -1.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2398 -1.3620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6398 -0.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9799 -2.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4798 -2.6782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6389 -2.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9324 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7122 -4.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 -4.0898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7008 -6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 -7.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9826 -8.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6778 -9.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -8.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -7.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7397 -1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7596 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2596 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9996 -0.1146 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3006 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 0.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 -3.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -3.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 0.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 1.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0324 -3.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5245 -5.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0378 -6.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0172 -9.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6687 -10.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3408 -9.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 -6.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3317 -2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3675 2.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6676 2.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 M END