IBS-ZINC05451125 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 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 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7100 -0.0490 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.0210 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.1140 -2.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.0280 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -0.1620 -3.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.4220 -4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.5090 -6.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.5350 -6.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.8640 -6.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -2.7060 -7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -2.2420 -8.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -0.9280 -8.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -0.0650 -7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 1.3520 -7.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.6540 -6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9640 -5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 3.2600 -4.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 3.9090 -6.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 3.5450 -7.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 2.3120 -8.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 4.9320 -8.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 6.1140 -6.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 5.2980 -6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.0860 -9.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -4.4310 -9.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.4690 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -2.3720 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.3060 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 0.0380 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.3260 -5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.3920 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.2340 -6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -3.7350 -7.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5700 -9.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 6.4870 -6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 6.9390 -7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 5.7600 -6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 5.3130 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -4.8910 -8.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -4.4330 -9.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.9960 -10.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 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 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 18 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 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END