IFLAB-ZINC02455440 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.7650 -0.7230 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.0960 0.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7740 0.9890 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.5290 -1.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7520 -0.2760 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -2.0310 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -2.7840 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -4.1620 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -4.8110 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -4.0830 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -2.7040 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -0.2270 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 0.7270 -4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 2.6490 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.7540 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 2.9330 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.3470 1.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 0.2020 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 0.8060 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.0550 1.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 0.3230 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 1.0540 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 1.3890 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 0.9980 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 0.2700 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -0.0650 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.8080 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -0.5140 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.3140 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -2.3090 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -4.7310 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -5.8840 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -4.5900 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.1690 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.1620 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.4200 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 0.2760 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 0.8050 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 2.8300 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 3.6180 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 1.6180 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 2.1980 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 3.0910 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 2.5100 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 3.9100 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.9510 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.5680 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 1.3850 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 1.9590 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0000 1.2610 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 -0.0360 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -0.6330 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 0.3680 -1.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0410 0.5300 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 2.0580 -4.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 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 12 53 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 55 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 53 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 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 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END