IFLAB-ZINC04317893 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.0120 2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.6980 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -4.1450 4.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -5.0910 5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -6.3230 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -6.0510 3.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -7.0320 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -7.3600 1.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0520 -6.4380 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -8.2880 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -8.5000 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -9.3580 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -8.9610 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -10.8080 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -8.0070 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -7.5010 5.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -8.5910 4.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -7.4110 6.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -8.2210 7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -6.2150 7.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -6.1730 8.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 -5.0640 6.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -3.7800 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1700 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1960 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -4.4990 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -7.9420 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -6.6200 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -9.2430 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -7.8320 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -9.2620 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -9.0580 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -9.6160 -3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -7.9280 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -11.4620 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -10.9040 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -11.0900 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -8.8350 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -3.4770 7.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -3.8840 7.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -3.0260 6.3590 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 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 40 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END