PUBCHEM-ZINC06044598 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.3830 1.6060 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 0.1170 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.5140 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -1.9020 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -2.6260 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.0450 0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.6920 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -4.1510 1.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7460 -4.4640 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.7860 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -4.3320 2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -4.9400 3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -6.0170 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -6.6360 5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -7.7060 6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -8.1710 6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -7.5680 5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -6.4900 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -5.8710 3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -5.8190 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -6.0780 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -6.2380 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -5.0120 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -4.7200 -0.5830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3420 -5.5670 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -3.4740 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -2.5240 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.9170 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 1.9590 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 2.0940 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 0.0740 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -2.3940 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.2620 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -3.5010 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -4.5630 4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -6.2880 5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -8.1740 7.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -9.0020 6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -7.9480 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -6.2430 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -6.6670 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -5.6270 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -5.2510 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -6.9830 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -6.3840 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -7.1330 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -4.1470 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -5.1590 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -4.6060 0.2300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0280 -3.7760 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -3.4960 0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -2.6590 0.4350 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 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 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 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M END