IBS-ZINC05025462 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.9880 0.1730 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.3270 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -1.5490 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -3.0480 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -3.2610 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -3.2930 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -3.1480 -2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.5090 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 -3.5540 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -3.2380 -3.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -3.4020 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -2.9820 -5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -3.9100 -6.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -3.5300 -7.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -2.2160 -8.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -1.2810 -7.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 -1.6700 -6.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -0.0720 -8.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -0.3640 -9.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -1.5930 -9.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -3.6750 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -3.8570 0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -3.6190 1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -3.4240 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.3890 2.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 0.3310 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 0.6760 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.5790 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.7330 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -1.8300 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.1420 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -1.0460 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -3.4550 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -3.5510 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -3.8430 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -2.9020 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -4.4480 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 -2.7830 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -4.9350 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -4.2570 -8.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -0.9480 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -0.5040 -10.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 0.4300 -9.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -3.7260 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 M END