IFLAB-ZINC05241179 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.3720 1.4620 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 0.0170 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -1.0720 1.3450 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.6240 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.1820 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.4030 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -5.0860 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.5470 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -3.3130 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -5.2560 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -4.5820 -0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -6.6240 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -7.5610 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -8.9370 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 -9.6050 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -8.7080 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -7.1090 -0.4300 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1060 -9.0450 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -11.3100 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -11.0640 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 -10.9310 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -9.4840 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -8.7720 0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -10.8120 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 2.1160 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 1.7870 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.6130 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.0950 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.2650 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.6750 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -4.8220 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -6.0250 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -2.8950 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -7.0360 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -8.7220 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5960 -8.5960 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 -12.3740 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6350 -10.9660 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -11.5990 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 -11.4820 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3350 -10.3700 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0740 -10.6880 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8430 -12.0030 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -11.4410 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -11.1900 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 -10.5490 -0.4550 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0360 -10.8030 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 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 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 46 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END