CHEMDIV-ZINC04778530 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8930 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -4.6320 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -6.3270 2.3720 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -5.8770 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -4.5870 2.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -6.7650 2.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -8.0920 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -8.5100 2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -9.0540 1.9530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0120 -8.8480 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -8.8880 3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -9.7750 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -9.7050 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -9.2860 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -10.4270 1.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -11.4000 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -11.1400 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -12.8120 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -13.7120 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -15.1460 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -15.6510 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -14.7500 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -13.3170 2.7290 C 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 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -4.2570 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -6.4300 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -9.1800 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -7.8460 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -10.8050 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -8.6750 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -10.3370 4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -10.0540 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -8.2560 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -9.3360 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -9.9180 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -10.6350 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -12.8310 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -13.6930 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -13.3520 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -15.7870 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -15.1650 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -15.6310 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -16.6720 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -15.1100 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -14.7700 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -12.6750 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -13.2980 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 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 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END