IFLAB-ZINC04583159 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 1.8220 0.3720 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.7060 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -1.1350 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5320 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -0.9690 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.0100 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -2.6200 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.1840 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.8290 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -2.1520 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -4.1680 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.0130 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -5.9370 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -6.6700 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -5.7550 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.8240 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -7.6380 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -8.4480 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -9.3950 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -9.4820 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -8.6710 2.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -7.7890 2.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -10.4200 2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -11.3170 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -12.2280 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -13.4440 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 -14.2790 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -13.8980 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -12.6820 3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -11.8490 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.2450 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 0.0790 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 0.6160 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.2800 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -0.4970 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -2.3460 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -3.4320 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -4.3840 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -5.6110 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -5.3420 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -6.6450 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -5.1620 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -6.3310 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -5.4040 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -4.0700 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -8.3380 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -10.0470 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -10.4800 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -11.9160 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -10.7280 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -13.7420 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -15.2290 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 -14.5500 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4890 -12.3840 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -10.9010 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 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 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 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 55 1 0 0 0 0 M END