IBS-ZINC05269863 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.6570 -0.3970 -1.3240 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 -1.4120 -0.4000 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 0.0260 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 1.2400 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 1.7180 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 0.9960 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -0.2050 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -0.6950 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -2.0200 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -2.1960 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.8380 -0.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1290 -2.0880 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.6160 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -1.2800 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -0.4410 -1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -3.6280 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -4.2900 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 1.5090 4.6590 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5900 2.5690 5.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 0.8720 5.1810 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6740 -0.0060 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.4830 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.0180 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.5090 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.0750 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.8060 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 2.6570 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -0.7680 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -2.8260 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -2.0480 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.3680 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -3.6850 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.3480 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -1.3940 -1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -4.1660 -0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -5.0880 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -0.7840 -1.8830 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 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 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 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END