ENAMINE-ZINC04895860 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.0860 1.3230 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1930 -0.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6220 -0.6720 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.5330 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.0460 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.4990 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -2.1530 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.7000 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.6660 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -2.2190 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -2.7260 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -3.6890 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -4.1360 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -3.6210 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -4.0890 -1.9370 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1420 -4.9240 -2.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.6370 -1.8460 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5910 -4.2350 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -5.0730 -1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5570 -3.8040 0.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -4.2380 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7010 -4.4140 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0040 -4.8410 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4920 -5.0960 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6690 -4.9200 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3650 -4.4860 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3780 -5.2330 -2.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7610 -5.2070 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7180 -5.5190 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 1.6840 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 1.5640 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.8010 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -0.2120 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.0220 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.5550 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -2.2900 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -3.5780 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -2.0010 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.2100 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.4730 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -1.4750 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -2.3790 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -4.8800 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -3.1940 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3230 -4.2160 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6430 -4.9780 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 -4.3450 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1870 -4.2170 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3300 -5.9620 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 44 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END