IBS-ZINC01278510 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0830 -0.7380 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.0840 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -2.2880 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -0.8600 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -2.8800 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -2.3030 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.5600 -0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -4.3820 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -4.8280 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -4.9770 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -4.7650 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -5.4410 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -5.7560 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -6.1740 4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -6.2780 5.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -5.9660 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -5.5470 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -5.1480 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -5.1140 2.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.8200 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -2.8290 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.6910 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -0.6810 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -2.7920 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -4.6920 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -4.8260 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -5.6770 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -6.4190 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -6.6040 6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -6.0480 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 2 1 M END