IFLAB-ZINC04280082 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 1.0050 1.9610 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 0.6200 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.3720 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -0.0040 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 1.3410 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 2.3280 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 1.7150 -1.6180 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8450 0.8090 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 2.9120 -1.6270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0350 -1.7440 -0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -2.3380 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -1.7940 1.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -3.8420 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -4.4020 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1390 -4.0870 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -5.9370 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -6.3290 1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -4.0380 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -3.8490 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -4.1250 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7640 -4.7080 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 -4.6100 5.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -3.2460 6.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -2.6340 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -2.6240 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 2.7190 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 0.3860 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -0.7630 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 3.3760 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -2.3530 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -4.0990 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -4.2830 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -5.0390 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -3.2860 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -4.5320 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -2.8290 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 -3.4160 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 -5.1420 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -5.7520 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3890 -4.1730 3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3510 -5.0290 5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 -5.1750 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -1.6060 6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -3.1570 6.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -2.0570 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 -2.2150 4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -6.5550 -0.7730 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2270 -3.8960 1.5000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.5530 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -2.9180 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 -4.0480 4.2480 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7710 -4.5850 4.8800 H 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 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 45 1 0 0 0 0 25 46 1 0 0 0 0 25 51 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 47 -1 M CHG 1 48 1 M CHG 1 51 1 M END