IBS-ZINC01645538 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.6020 2.0810 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.9980 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 2.9880 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 3.5340 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 4.7180 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 5.3090 -0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 6.1750 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 6.4630 -1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 6.7740 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 7.4520 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 8.0930 -3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 8.7930 -3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 9.3950 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 9.3060 -5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 8.6140 -5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 8.0120 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 7.3110 -4.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 7.2470 -5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 6.6760 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 6.0300 -4.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 7.6280 -1.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 1.1490 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.8030 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 2.4790 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.6380 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 0.0990 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 0.7140 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 3.7260 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 2.6730 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 3.8540 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 2.7490 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 4.3990 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 5.4930 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 5.0660 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 8.8800 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3710 9.9370 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 9.7770 -6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 8.5500 -6.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 7.2920 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.7650 1.1330 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2180 1.1370 0.5430 H 0 0 0 0 0 0 0 0 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 1 40 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 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 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END