IFLAB-ZINC02457525 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.3250 1.8710 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.3870 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 0.2120 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.3550 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -1.3920 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -2.0900 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -1.7850 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -0.7390 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -0.0370 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -2.4710 1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -1.8240 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -2.1180 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 -3.5490 1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -4.1880 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -3.9100 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 -4.1690 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3320 -3.5610 2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -5.6430 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 -6.2140 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 -7.6870 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2790 -8.2720 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.3730 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.9980 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 2.3910 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.0370 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 0.6630 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.8490 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6840 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.6690 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -2.8650 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.4700 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 0.7580 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -2.2040 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 -0.7350 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9230 -1.7050 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -1.6210 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 -5.2660 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 -3.7670 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -4.3440 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -4.4290 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 -5.7550 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 -6.2000 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0620 -6.1140 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8360 -5.6340 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3580 -8.1420 1.7870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 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 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 45 1 0 0 0 0 M CHG 1 45 -1 M END