IBS-ZINC04327087 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 1.2490 2.3590 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.9060 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 0.0260 -2.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.2910 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -1.6960 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.2650 -2.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2250 -2.0530 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -2.1260 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -0.7550 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -0.5660 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -0.6660 -5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -3.6920 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -4.8150 -3.8620 P 0 0 3 0 0 0 0 0 0 0 0 0 2.8680 -4.7340 -4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -6.5240 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -7.4270 -4.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -8.0720 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -7.9060 -4.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -8.9020 -5.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -9.5630 -5.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -10.4440 -7.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -9.9360 -8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -10.7440 -9.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -12.0620 -9.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -12.5710 -8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -11.7630 -7.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -4.3850 -4.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 2.4900 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.6030 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 3.0200 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 0.6620 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.7760 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -2.2230 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -2.9080 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 0.0240 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -1.3460 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 0.4110 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -0.6290 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 0.3330 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -1.4010 -5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.8680 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -4.0080 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -3.7210 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -6.8160 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -6.5840 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -7.5600 -5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -8.8140 -6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -10.1710 -5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -8.9070 -8.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -10.3470 -10.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -12.6930 -10.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -13.6000 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -12.1620 -6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.4150 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END