PUBCHEM-ZINC02838261 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.7710 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.1220 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -6.9510 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.3240 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -8.8720 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -8.0500 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -6.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -5.8630 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -6.4990 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -10.3700 -0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9580 -10.8530 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -10.7990 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -10.8420 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -11.2960 3.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -11.4300 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -11.5400 2.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -11.2450 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -11.3170 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -11.2090 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -10.7850 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -10.7260 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -10.6800 -3.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -11.5570 -2.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -10.4560 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -9.4550 -0.0590 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.5250 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -8.4800 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -7.1160 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -7.1250 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -5.7400 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -11.8670 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -11.4920 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -9.3980 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -11.0480 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -10.6430 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 3 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END