IFLAB-ZINC04939712 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.8670 1.8070 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.3540 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.2100 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -1.5450 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.3280 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -1.7910 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.4460 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.1440 -2.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.4660 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.6370 -3.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.4770 -4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.2630 -6.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9410 -0.6880 -6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.7180 -7.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.1470 -8.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.6070 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -3.8390 -7.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -2.4130 -6.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.1600 -6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -4.6250 -7.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -3.7300 0.5200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8720 -4.0730 1.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -4.4840 -0.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7270 1.9100 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 2.3800 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.2520 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 0.3970 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.9490 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -2.4350 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.1260 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.0250 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.2130 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.8750 -6.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.2000 -8.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -4.5670 -7.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -4.3140 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.8930 -5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -2.1560 -6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -0.6640 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.4680 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -5.1380 -6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -5.2800 -8.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -4.2600 -8.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.9440 -7.1440 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0200 -1.5260 -6.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.9030 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -3.4370 -7.6100 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7080 -2.9870 -8.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 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 21 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 45 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 47 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 45 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 44 -1 M CHG 1 45 1 M CHG 1 47 1 M END