IFLAB-ZINC04568727 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -1.6460 5.9500 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 6.3390 4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 7.0430 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 7.3600 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 6.9760 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 6.2670 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 5.8520 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 5.2340 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 6.1600 1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 5.7490 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 6.3360 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2740 6.0200 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 7.8400 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 8.4920 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 9.8720 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 10.6050 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 9.9490 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 8.5660 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 10.8830 2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 12.0900 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 11.9500 0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 4.3890 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 3.9350 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 4.5080 -2.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 5.9370 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 6.4110 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 7.4580 6.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3750 7.1810 6.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 8.0780 7.1520 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2030 5.3970 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 6.0950 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 7.9100 5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 7.2240 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 6.6530 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 4.6610 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 6.1130 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 7.9220 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 10.3780 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 8.0540 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 12.1540 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 12.9650 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 4.0020 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 4.0120 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 2.8480 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 4.2660 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 6.2980 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 6.3260 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 6.0680 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 7.5000 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 5.8580 -1.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 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 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 50 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END