PUBCHEM-ZINC00634812 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.7530 1.6160 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 0.1040 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.4990 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -2.4980 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -3.8700 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5990 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -3.9480 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.5760 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.9900 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -6.6550 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -7.9260 0.0750 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1970 -8.8800 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -8.7550 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -7.5740 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -6.2160 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 -5.9270 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -8.3240 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -6.9810 -0.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0600 -6.8620 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -7.1930 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -7.0830 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -6.6430 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -6.3120 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -6.4170 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -6.4930 4.5590 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -6.8360 -1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 2.0760 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 2.0260 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 1.8240 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.1040 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.3060 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -1.9310 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -4.3750 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -4.5140 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -2.0700 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -9.8960 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -8.6370 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -8.6260 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -9.6670 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 -7.6450 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -7.6420 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -6.1880 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -5.4500 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -6.2930 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -4.8540 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -8.9100 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -8.8850 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -7.5370 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -7.3420 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -5.9680 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -6.1540 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -7.4670 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 M CHG 1 12 1 M END