MMs00645572 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 39 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 -0.7524 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 2.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 1.3059 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4953 2.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0082 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7571 3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 3.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1366 2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 3.1388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5667 4.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 5.1049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7819 5.5183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1511 4.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3051 3.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3662 5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7354 5.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9505 6.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7965 7.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4273 8.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2121 7.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0116 8.4235 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 -1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 1.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 3.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 4.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 5.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 1.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6586 6.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8587 3.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0459 5.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 9.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1168 7.7673 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 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 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 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END