IBS-ZINC05163642 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5700 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.0970 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.7030 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.1640 -2.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -4.9360 -3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -4.3350 -4.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -5.0440 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -6.4340 -5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -7.0290 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -6.2550 -3.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -8.4100 -3.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -9.0270 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -10.5500 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -10.9590 -2.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -7.2590 -6.1690 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7320 -7.5890 -6.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -7.6080 -7.1260 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5780 -4.4070 -6.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2510 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2340 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -2.4160 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.4330 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.3830 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -2.3670 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -4.5920 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -8.9680 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -8.7060 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -8.7220 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -11.0090 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -10.8630 -3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -11.9150 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -3.4380 -6.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -4.9300 -6.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 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 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END