MMs02087545 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 51 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 -0.7559 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5118 -2.5775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9118 -3.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 -1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2677 -3.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5236 -5.1619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.1236 -6.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0236 -5.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7677 -3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0117 -2.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2676 -3.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0117 -2.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2558 -1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9999 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4999 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2558 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5117 -2.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2676 -3.8321 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.7795 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2795 -6.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 -1.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9697 -2.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -0.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8188 -1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -2.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -3.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1786 -2.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1716 -0.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5364 0.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -4.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 -5.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8206 -6.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1531 -5.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8724 -4.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0558 -1.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3951 1.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0951 1.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4558 -1.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7677 -3.8663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3629 -2.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5354 -7.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9402 -8.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M END