IFLAB-ZINC05258109 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.0210 1.8130 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.3440 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.1120 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.4820 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.4290 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -1.9740 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.5910 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.9160 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -3.8240 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -4.4670 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -3.9590 2.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -5.9800 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -6.6400 2.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4340 -6.4390 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -8.1500 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -8.4610 2.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -6.2780 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -6.1770 5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -6.4950 7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 2.3630 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.0120 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 2.1980 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.5950 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -1.7740 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -0.2370 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -3.5040 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -2.3770 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -3.5860 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -4.4150 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -6.2600 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -6.3310 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -7.2630 5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -5.4990 5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -6.8780 5.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -5.1710 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -5.7590 7.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -7.4990 7.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -8.8240 1.9460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6080 -6.1040 3.6420 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4010 -6.7450 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -5.1170 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -6.4620 8.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4000 -6.6970 9.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -5.5320 8.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -7.1400 7.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 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 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 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 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 1 M CHG 1 42 1 M END