IBS-ZINC02149566 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.0680 1.4240 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1040 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.5520 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.0800 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -2.5200 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -2.7900 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -3.2020 -3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -3.4400 -3.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -3.3370 -4.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -3.0850 -4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.6750 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.4180 -3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -2.5710 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.9810 -6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -3.2300 -6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.6730 -7.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -3.1280 -7.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -4.3720 -7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -5.2820 -6.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -4.6330 -9.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5930 -4.3510 -9.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -3.8070 -9.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -6.0570 -9.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -6.8150 -10.6100 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -8.1760 -10.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -5.9870 -11.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -6.8000 -11.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -7.8420 -10.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -7.8300 -11.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -6.7750 -11.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -5.7330 -12.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -5.7480 -11.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -6.7610 -12.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.8320 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.7850 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.7420 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.4650 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.5130 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.1910 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.1430 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.4410 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.4890 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -2.6900 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -2.1010 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -2.3730 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -4.7600 -7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -3.2450 -8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -3.3330 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -4.0880 -8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -2.7470 -9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -3.9950 -10.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -6.5550 -8.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -8.6660 -10.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -8.6440 -10.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -4.9090 -12.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.9350 -12.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -7.2540 -13.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -5.7300 -12.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -7.2880 -11.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 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 43 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 44 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 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 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END