IBS-ZINC04791163 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 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 0.7260 -0.4840 1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -0.7150 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -1.2340 -0.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5770 -2.3000 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.4700 -1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -0.9500 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -1.5410 -2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -1.3330 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -2.0050 -5.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2740 -3.0560 -5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -1.8900 -6.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -2.5330 -7.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -2.5560 -8.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 -1.8330 -8.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -3.1470 -9.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -3.1690 -10.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9590 -2.6560 -10.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -3.8170 -11.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -3.8410 -12.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -4.4460 -14.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -5.0330 -14.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -5.0120 -13.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -4.4130 -12.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -5.6290 -15.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -6.2120 -15.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3590 -5.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.5380 0.0400 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 2.6440 0.2120 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -1.4710 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 0.1270 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.3750 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -0.2640 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -1.7660 -3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -0.8390 -6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -2.3830 -5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -2.9430 -7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -3.5570 -9.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -3.3850 -12.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -4.4650 -14.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -5.4690 -13.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -4.4000 -11.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -5.4420 -15.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -6.6530 -16.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -6.9860 -14.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -0.4180 -5.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -0.1880 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.6280 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -0.1770 0.9390 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 7 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END