NCID-ZINC01698166 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.7150 1.4600 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.0440 -0.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9590 -0.5480 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -0.6240 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -1.0830 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -1.6070 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -1.6650 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.1980 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.6660 2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.3070 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -1.8760 5.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -2.3160 5.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -2.2270 4.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -2.8550 6.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.9270 4.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -0.3010 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.3420 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -0.5960 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.6570 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -0.4810 -3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -0.2070 -3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -0.1430 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -0.5680 -4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -0.1920 -4.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -1.1150 -5.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 -1.1960 -7.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5440 -1.2720 -7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.0180 -8.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 1.3470 -7.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 2.5760 -8.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 2.4340 -9.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -2.4460 -7.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -2.8740 -7.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 1.6740 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 1.9060 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 1.9760 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -1.0490 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.9470 7.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.1870 6.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -1.9620 6.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.4560 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.7510 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -0.8550 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -0.0220 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.0710 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.5570 -5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.0790 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -0.1250 -9.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 1.2800 -7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 1.5510 -6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 3.6120 -8.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6190 -2.8940 -8.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 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 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 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 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 52 -1 M END