IFLAB-ZINC03106635 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.6630 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.1250 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.7180 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -2.8780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.2270 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.7570 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -0.1200 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 1.0980 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 1.6910 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 1.0140 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 3.1650 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 3.7820 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 5.1590 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 5.9280 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 5.3220 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 3.9470 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 6.1530 0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5440 7.3680 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 5.6220 0.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4020 5.8150 0.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4160 5.1400 0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 7.0300 0.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.1100 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -3.9580 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -2.7840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 3.1830 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 7.0050 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 3.4760 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END