MMs01080548 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.5000 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 2.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2453 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 2.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 3.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 3.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2361 3.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2453 1.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 1.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 2.6461 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 0.0481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7545 -1.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2545 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9999 0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2453 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4999 0.0694 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -1.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 1.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 2.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 0.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 0.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 0.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8324 4.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1324 4.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 0.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9036 -0.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1582 -2.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8582 -2.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8416 2.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7453 1.3551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 42 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END