IBS-ZINC02148382 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 -0.9860 2.5220 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 1.1280 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.6910 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.7030 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.1330 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -0.9430 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -1.3550 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -1.1790 -4.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.9360 -5.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.1540 -5.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.7730 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.0050 -4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.6120 -5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.9890 -6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -2.7560 -6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.6500 -7.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.6350 -3.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -1.4540 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -1.7190 -4.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.9200 -1.9680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9410 0.0650 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -1.8700 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -1.2550 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -2.1450 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -1.5300 2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -0.8140 -2.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 0.6420 -2.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 0.4380 -2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 1.1300 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 1.7540 -3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 1.8590 -4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 2.7310 -5.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 3.4980 -5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 3.3940 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 2.5250 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 4.4480 -6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 3.2290 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 2.4980 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 2.8340 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.1530 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.4210 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 0.6660 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 1.3980 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.6780 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -1.4100 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -0.4780 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -2.7930 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -3.0550 -7.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -2.8880 -8.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -4.3270 -8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -4.2130 -7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -2.8220 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -2.0340 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -0.2640 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -1.1740 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -3.1370 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.2260 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -2.1640 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.5380 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -1.4490 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -1.5960 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 1.2590 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 2.8120 -6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 3.9930 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 2.4460 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 5.4220 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 4.5510 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 4.0580 -7.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 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 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END