MMs02419079 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 2.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7434 -1.3328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9434 -1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7564 1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2564 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4869 -2.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 -3.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 -3.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4739 -5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9739 -5.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 -6.5440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3173 -7.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2173 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9738 -5.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 3.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7434 1.3178 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -1.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 3.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 -0.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 -1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 -1.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4459 -2.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5947 -1.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6308 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9707 2.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6869 -2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3442 -5.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6763 -6.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7714 -4.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1035 -4.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7609 -7.8332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 4.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4304 3.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0129 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9608 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 -7.8392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5556 -8.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1608 -7.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2129 2.5319 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 33 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 46 51 1 0 0 0 0 49 54 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END