CHEMDIV-ZINC06794779 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 0.1120 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.5060 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -1.9060 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.0180 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -3.9940 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -4.0770 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -2.8210 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -2.4680 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -2.0010 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5970 -1.8830 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0620 -1.5290 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5540 -0.2890 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9350 -0.2090 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5660 -1.3850 -2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3850 -2.6880 -2.8540 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -5.3220 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -5.2800 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -5.1310 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -5.5280 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -6.4650 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -6.8300 3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -6.2570 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -5.3210 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.9600 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.1910 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.0820 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.5920 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -3.2500 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -1.5200 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2770 -1.0500 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -2.7800 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0270 -1.1040 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 -2.8340 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9210 0.5870 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4630 0.7330 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6380 -1.5160 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -5.9720 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -4.8490 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -6.9120 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -7.5610 3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -6.5420 5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -4.8740 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.2310 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -2.3460 -1.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -1.6720 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -6.5130 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -7.3050 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 51 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 13 51 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 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M END