IBS-ZINC04975148 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 8.2130 -4.5530 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -4.9400 0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.8160 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -4.3960 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -5.1890 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -5.0610 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -5.4090 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -5.8900 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -6.0190 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -5.6770 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -6.2420 -1.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -7.0450 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -6.4740 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -7.2640 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -8.6220 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -9.2420 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -8.4520 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -9.0380 -1.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -10.3430 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -11.1800 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -10.6430 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -9.4420 2.5300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9020 -9.1100 2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -10.4500 2.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6870 -5.0010 0.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.4830 1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.3070 -0.2090 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8170 -5.1650 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -3.5030 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 -4.7020 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -4.6870 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -5.3100 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.3920 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -5.7810 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -5.9290 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.7940 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -10.7800 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -12.2510 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -11.2770 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 25 1 M CHG 1 27 -1 M END