IBS-ZINC06661838 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7780 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0820 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8190 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.0340 -2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.1430 -3.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.8740 -4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -1.8920 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.7010 -5.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.3400 -7.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.3960 -8.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.7200 -9.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -3.1910 -9.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.0790 -8.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -3.7810 -7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -3.5090 -10.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -4.2480 -11.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -4.3280 -12.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -4.7930 -13.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -3.6360 -11.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -3.1510 -10.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -4.8380 -12.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.7950 -11.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8350 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -1.1730 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -3.4870 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -3.5130 -4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -1.4930 -9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.3770 -8.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -1.0920 -10.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -1.5310 -8.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -5.1270 -8.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -3.8760 -8.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.3360 -6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -4.0760 -8.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -3.5070 -11.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.2530 -13.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -5.8700 -12.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -5.0290 -11.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -5.5270 -10.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.0300 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.7800 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.2370 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.4520 -10.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -3.3200 -9.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 54 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M END