IBS-ZINC04817221 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9080 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -4.4560 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -5.8270 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -6.6580 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -6.1090 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -4.7380 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -8.0470 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -8.8640 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -10.2180 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -10.7840 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -11.2320 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -11.1010 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -12.4020 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -13.0310 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -12.2360 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -10.5590 -0.0680 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -14.5110 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -15.2900 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -16.6660 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -17.2750 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -16.5020 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -15.1250 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -18.6310 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -19.1910 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -3.8090 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -6.2520 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -6.7550 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -4.3110 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -8.4300 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -8.4380 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -12.5680 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -14.8170 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -17.2700 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -16.9780 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -14.5240 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -20.2790 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -18.8560 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -18.8650 0.7690 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 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 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 3 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END