IFLAB-ZINC03865919 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.7580 0.1060 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -0.2050 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.4640 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.3490 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.5070 -0.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1070 -1.3150 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.8710 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 0.1070 0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.7350 -1.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 1.0900 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 0.3830 -3.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 2.4580 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 3.0670 -4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 4.4770 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 5.1540 -5.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 4.2810 -7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.8920 -7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 2.2220 -5.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 3.0440 -7.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 3.9180 -6.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 5.3010 -6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 3.2510 -4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 0.2420 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 1.0280 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.7040 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 0.6410 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -2.3420 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -1.6690 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.3520 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -1.2060 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 0.5330 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 1.3240 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 2.3700 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 3.1480 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 4.3950 -4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 5.1130 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 6.1420 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 4.1850 -7.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 4.7590 -8.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 2.2750 -7.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 1.2150 -5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 2.0980 -5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.0580 -7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 3.4970 -8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 4.0280 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 5.7970 -7.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 5.9390 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 3.8620 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 2.2870 -4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -2.0770 0.6800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 M CHG 1 50 -1 M END