IFLAB-ZINC03865507 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.0670 1.3040 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.2050 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.5780 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -1.9150 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -2.7580 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -2.2180 2.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -3.6050 2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -3.9890 4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.5620 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -1.2230 3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -3.3720 6.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -2.8610 7.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9570 -1.7780 7.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -3.5730 8.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -2.9720 9.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -3.3840 11.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -4.3980 11.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -4.7280 12.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -4.0520 13.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -3.0400 13.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -2.7290 11.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.6830 11.3550 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2970 -0.5180 11.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -2.0350 10.7540 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3570 -3.0890 6.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -2.9170 7.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.7870 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.6390 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.6430 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -0.6740 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.5280 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.2900 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -3.6970 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.9710 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -4.9780 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.8990 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -1.4950 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -1.2340 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.2130 3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.4660 6.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.9580 6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -3.4340 9.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -4.6380 8.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -4.9580 11.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -5.5200 13.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -4.3190 14.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -2.5120 13.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -2.9920 5.1510 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5950 -3.0490 5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 48 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 48 1 M END