IBS-ZINC02269661 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.5000 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.0070 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.5140 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -1.8820 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.7300 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.2090 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.8410 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -4.4750 -0.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -5.0260 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.6850 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -5.0090 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -4.9060 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -5.3630 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -5.2710 -2.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -4.7400 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -4.6300 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -4.0860 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -3.6360 -5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -3.7270 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -4.2820 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.3770 -2.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -5.9130 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -6.2590 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -7.3540 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -7.7030 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -6.9630 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -5.8590 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -5.5090 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8170 -5.0680 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9920 -5.3730 -1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5160 -7.3080 0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.8900 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.7220 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.9650 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.1490 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.2890 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.8720 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.4340 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -5.3940 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -4.9750 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -4.0030 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -3.2080 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -3.3740 -4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -6.0570 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -7.9340 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 -8.5540 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -4.6570 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9950 -6.8830 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -4.0070 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1310 -3.5200 -2.4600 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 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 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 44 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 31 48 1 0 0 0 0 49 50 1 0 0 0 0 M END