ASINEX-ZINC02099979 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 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 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9690 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.6390 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -2.0340 3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.1110 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -4.8180 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -6.2000 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -6.8240 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -6.1270 3.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2540 -4.8160 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -6.9300 -0.0480 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -0.3350 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -1.0850 -3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.4080 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -1.8510 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.9570 -5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.6440 -5.8640 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0030 -1.2250 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -2.1770 -4.7230 O 0 5 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 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.2350 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.4520 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.3040 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -7.8980 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -4.2810 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -6.5930 3.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -1.3150 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -2.3010 -6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.9830 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.7280 -6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 22 1 M CHG 1 24 -1 M END