IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.8250 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.7920 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 1.5960 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 1.9530 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 1.8970 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 2.3460 -1.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.2860 -2.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9210 1.5930 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 3.6580 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 3.8040 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 5.0610 -4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 6.1730 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 6.0270 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 4.7700 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 7.5190 -3.9680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6000 7.6480 -4.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 8.4990 -3.3120 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5120 2.7700 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 4.2810 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 4.7250 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 6.2360 -2.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 6.6790 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5430 8.1670 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7630 8.8080 -2.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 1.2050 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 2.9350 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 5.1750 -5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 6.8950 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 4.6560 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 2.5250 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 2.2550 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 4.5260 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 4.7960 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 4.4800 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 4.2090 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 6.4810 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 6.7510 -3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2320 6.4340 -4.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2390 6.1640 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.6620 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 8.7820 -4.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 9.7380 -4.0850 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 2 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END