IFLAB-ZINC02711841 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.6160 -4.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -1.6700 -5.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.9100 -4.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.8480 -5.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -1.8990 -6.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.6280 -7.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -3.9000 -6.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -3.9580 -5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -5.3430 -4.7870 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -6.4040 -5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -7.6860 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -7.7750 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -8.9510 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -10.0370 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -9.9480 -4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -8.7740 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -11.1120 -4.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8590 -12.1470 -4.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -11.0330 -5.6860 O 0 5 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 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.9640 -6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -1.7190 -7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.0530 -7.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.8070 -8.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -5.8900 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -6.6310 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -6.9260 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -9.0200 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -10.9560 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -8.7060 -5.9240 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END