IBS-ZINC02239006 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.3230 1.4790 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.0120 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.8690 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -2.2360 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.7500 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -1.8860 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -0.5200 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.4400 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -4.1340 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.8900 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.3830 -1.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -6.3650 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -7.0960 -2.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -8.7730 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -9.2600 -0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -10.5210 -0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -10.9110 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -9.8130 -2.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -9.7620 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -9.4800 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -10.2880 -6.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -12.3140 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -13.0480 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -13.0820 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -13.8230 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -14.3930 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -14.0000 -1.3420 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -3.1690 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.8380 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 1.9680 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.7100 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.4680 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.1510 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -2.4740 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -1.7990 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -3.4460 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.5500 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -6.5100 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -6.8450 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -10.7190 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -8.9710 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -8.6100 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -11.1580 -6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -10.0860 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -12.2770 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -12.8340 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -12.5680 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -13.9330 -4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -15.0040 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -3.2910 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -4.1380 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -2.7510 -0.7680 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 27 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END