IFLAB-ZINC02722382 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 0 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.8140 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -2.9290 0.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.2600 2.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -3.7000 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -4.1800 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -5.6610 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -6.6450 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.8620 2.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -8.7200 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -7.6860 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -6.3000 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -5.8190 4.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -6.7000 5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -8.0680 5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -8.5640 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 -6.1810 6.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -6.4400 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.3060 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.9990 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.7680 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -1.4910 6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.4400 6.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.3330 5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.0530 4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 1.3650 5.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 2.1160 3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -0.1670 7.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.0030 8.5510 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 1.0770 0.1420 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -3.9000 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -4.2290 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -3.9800 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -3.6510 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -4.7560 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -8.7520 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -9.6300 3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -6.0700 7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -6.8840 6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1790 -5.2130 6.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -6.3750 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -7.2800 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -5.5170 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.7370 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -0.3870 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.5870 5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.0930 7.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.6550 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 2.5580 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 1.4560 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 2.9060 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.6770 9.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -2.0350 8.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.9340 9.0560 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 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 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END