IFLAB-ZINC02457391 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 0.0980 1.5750 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.1250 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.8600 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -2.2330 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.6420 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -1.6430 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.2720 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 0.7330 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.9670 -0.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.8020 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -6.1960 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -6.7840 -0.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -5.9400 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -4.5470 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -8.0290 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -8.6900 -1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -8.5310 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -9.8610 -2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -10.2690 -3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -11.5380 -4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -12.3250 -4.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -3.2180 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 2.1250 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 2.0190 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 1.7010 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.5570 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -1.9500 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.3080 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 0.2470 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 1.4150 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -4.9050 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3430 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -6.8370 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -6.1310 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -6.3960 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -5.8490 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -3.9160 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -4.6250 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -8.6430 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -7.7750 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -9.7780 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -10.6360 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 -10.4290 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -9.4530 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.0690 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -3.5710 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.7610 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -11.6470 -5.6270 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 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 2 0 0 0 0 20 48 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 M CHG 1 48 -1 M END