IFLAB-ZINC01784728 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.3750 1.5240 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 0.0880 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.2550 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.5920 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -2.6160 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.2770 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.9260 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -3.3120 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -3.9790 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -4.5500 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.9190 2.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -6.0080 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -6.9170 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -8.2630 2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -8.3230 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -6.7890 0.2140 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -9.4320 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -10.5380 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -10.6490 2.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -9.5160 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -9.5430 4.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -11.9890 2.8370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8270 -11.8650 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -12.7880 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -12.7760 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -13.2990 1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.5640 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.9530 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 1.6150 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 2.1100 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 0.5150 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.7960 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.6610 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.0270 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.8590 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.8430 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -4.6440 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -11.4930 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -12.2500 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -13.7610 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -12.9770 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -5.6480 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -7.3440 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -6.4280 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -12.7800 2.9400 O 0 5 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 45 -1 M END