MMs02963861 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 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 0.7563 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -3.8862 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 -0.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3562 0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6589 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6661 -1.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 -2.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 -2.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9543 0.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2569 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8550 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1503 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1431 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8404 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5450 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4385 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7411 1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0365 2.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0292 4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3246 4.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6273 4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6345 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3392 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 1.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 -3.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3504 1.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7083 -2.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3766 -3.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2627 -1.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -1.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1925 -0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8346 3.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5029 2.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9742 0.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5169 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9871 4.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3188 6.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6636 4.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6767 1.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3450 0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M END