IFLAB-ZINC05250450 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 0 0 0 0 0 0999 V2000 0.5390 1.2380 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 0.0960 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.6530 1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4600 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.4410 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.5060 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.5820 5.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 0.3250 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.4630 3.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -2.4210 5.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.5920 6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -2.8430 7.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -3.5620 5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -3.2950 4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -4.3510 8.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -5.6350 7.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -5.6240 7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -6.8050 6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -7.9760 6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -7.9970 7.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -6.8520 7.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -9.2450 7.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -10.0090 6.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 -9.2100 6.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -2.1830 2.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -1.6870 1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 0.8670 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.7830 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 1.9440 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.4780 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.6010 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 1.0270 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.7260 7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -3.4440 6.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -1.9530 7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -3.1520 8.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -4.3780 5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.6670 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -4.2440 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.8620 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -4.4740 9.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -3.5080 8.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -4.6910 7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -6.8030 6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -6.9170 8.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -10.7860 7.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -10.4910 5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -3.9580 7.1460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5790 -4.7830 7.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 32 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 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 48 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END