IFLAB-ZINC04249158 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 0.2970 1.6720 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.1770 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -0.4890 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -1.8840 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.6610 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.9670 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -0.5710 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.0730 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -4.7320 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -5.9990 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -6.9290 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -6.2070 1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -4.8350 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -4.4780 2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -5.6260 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.7150 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -8.0400 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -9.0420 2.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -8.0830 4.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -6.9770 5.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -7.1430 6.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -5.7250 4.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -4.5320 5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -9.3830 4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -10.0620 5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -11.6870 6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -12.8070 7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -13.9940 6.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -13.5560 6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -12.4320 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0010 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 2.1110 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 2.0580 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.0640 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -2.3580 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -2.5050 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -0.0770 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -4.0750 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -4.9770 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -5.7260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -6.5070 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -7.7380 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -7.3600 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -3.8240 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -4.7630 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -4.0780 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -9.2360 5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -10.0230 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -10.4030 4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -9.3650 5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -10.8100 6.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -11.9970 5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -13.1350 7.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -12.4310 8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -14.4640 6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -14.7510 7.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -14.4120 5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -13.2260 7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -12.7480 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -12.0780 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -11.2700 6.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6310 -10.9680 6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 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 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END