IBS-ZINC04090620 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.0310 0.8660 3.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.5990 2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.6050 2.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4890 -0.2550 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 1.2840 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.1420 3.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7300 -0.4460 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.7020 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.3070 5.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.8960 4.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -2.4360 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -3.9720 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -4.0940 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.8730 4.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4390 -3.1780 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.2690 5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.2690 4.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 1.3110 4.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 1.8080 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.2290 3.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 2.9470 4.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 3.6670 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 4.1360 6.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 4.2630 7.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 4.4150 6.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 4.2300 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 3.4890 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 3.2950 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 3.8440 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 4.5860 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 4.7750 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.1170 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 1.4420 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 0.7510 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 2.3790 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.0480 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.5150 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 0.6140 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 2.2050 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -2.1620 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -2.0710 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -4.3920 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.4450 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -5.0240 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -4.0280 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.7260 4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 3.0000 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 4.5270 4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 4.7490 7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 2.7160 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 3.6950 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 5.0140 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 5.3540 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.8410 6.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -2.4170 6.7580 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 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 54 55 1 0 0 0 0 M END