CHEMSTAR-ZINC04544780 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4960 -2.1000 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -4.0480 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -4.7360 3.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -4.6180 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.0680 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -6.5250 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -5.7100 -0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -7.9610 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -8.9050 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -10.2490 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -10.6700 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -9.7420 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -8.3890 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -10.1620 -2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -11.5720 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.1770 3.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.4010 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -0.9060 4.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -1.2530 5.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.5870 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.6530 7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -1.3780 7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -2.0500 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.9930 5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.5620 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -3.2620 3.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -6.4040 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -6.4900 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -8.5800 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -10.9770 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -11.7240 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -7.6670 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -12.0530 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -11.7700 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -11.9670 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -0.0180 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.1340 8.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -1.4230 7.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -2.6160 5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M END