NCID-ZINC05495963 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 45 0 0 1 0 0 0 0 0999 V2000 0.4510 1.1010 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.3630 -0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3610 -0.9180 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -0.5270 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -0.9300 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -0.2130 -0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -0.3180 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.1420 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 0.5110 -3.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 0.1030 -2.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 0.4570 -3.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9860 1.3940 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -0.6510 -4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -1.8770 -4.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 -1.7830 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 0.6810 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 0.5020 -1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 1.0100 -4.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1250 0.6450 -3.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.4660 0.9180 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9720 1.3710 -4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0670 2.8790 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8800 3.5960 -5.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5150 3.3700 -6.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 -0.9110 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 -1.5760 -4.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 1.2120 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.5780 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.6580 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.1100 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.3600 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 0.3160 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 -0.1810 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -0.3480 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -0.8700 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 1.4300 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5500 1.1810 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9900 0.9610 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5200 3.0600 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0680 3.3310 -4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7990 4.3540 -5.3820 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.5020 -1.3330 -3.8830 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8040 -0.9750 1.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4520 -0.5850 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.8400 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.9840 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 41 -1 M CHG 1 42 -1 M CHG 1 43 1 M END