MMs03139804 MOE2007 2D CORINA 3.40 0006 02.08.2006 32 35 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 0.7494 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 2.5981 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4987 2.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 3.8967 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4671 -0.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3592 0.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -2.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9218 -2.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5199 -2.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8193 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1180 -2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1172 -4.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8178 -4.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5192 -4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 -4.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 -4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 -4.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4174 -1.8097 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -2.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 2.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 -0.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8199 -0.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 -4.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -6.0084 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END