IBS-ZINC02127173 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.6670 1.3290 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.1850 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.6320 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.1580 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -2.6410 -0.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9390 -2.2590 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -4.1790 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -4.8300 -1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.7890 0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -4.1850 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -5.3580 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -6.5070 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -6.2330 1.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9630 -6.7650 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -6.7060 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -5.8630 0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -2.1640 -1.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.2430 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -1.8380 -3.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -1.2950 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -0.8480 -4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -0.3100 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -0.2140 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -0.6540 -2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -1.1920 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -1.6630 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -1.5920 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 1.6270 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 1.7970 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.7230 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -0.5490 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.6220 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.2640 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.1810 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -2.5340 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -2.5880 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -3.7360 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -3.4200 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -5.1700 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -5.5790 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -6.4930 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -7.4810 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -2.6970 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -0.9230 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 0.0320 -5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3540 0.2040 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 -0.5770 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -7.9090 0.0180 O 0 5 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 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 48 -1 M END