IFLAB-ZINC04362989 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 1.8000 2.2290 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 0.8730 -2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -0.0410 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.3720 -1.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.6870 -0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 1.5480 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.3400 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -1.6920 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -2.2590 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -1.4790 -4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -0.1150 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 0.4500 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 0.7270 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 1.6690 -3.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.4490 -5.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.7680 -6.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -1.7790 -6.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -1.9050 -7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -2.9710 -6.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -3.4320 -5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -2.7100 -5.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 1.3240 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 2.4000 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 3.2610 -6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 3.0530 -7.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 1.9800 -8.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 1.1200 -7.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 3.8970 -8.0670 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 2.3740 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.3670 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 2.9540 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 0.0710 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -1.0680 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 0.1940 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -2.3070 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -3.3140 -3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.9230 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 1.5040 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -0.5270 -7.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -1.1820 -5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -1.3070 -8.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -3.3440 -7.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -4.2480 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 2.5630 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 4.0980 -5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 1.8190 -9.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 0.2860 -8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END