IFLAB-ZINC05043651 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.1780 1.1300 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.2200 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.8800 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.1890 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 1.1640 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 1.8200 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -0.9060 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -2.1940 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -2.4780 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -1.2810 -0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8940 -1.3990 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -0.1850 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -0.9890 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -1.6200 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3710 -1.3080 3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -0.3540 3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6830 0.2950 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 -0.0210 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 0.6320 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 -3.7710 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -4.0270 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -4.8490 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -6.2520 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -7.2880 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -8.7250 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -8.9520 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 1.6440 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.7600 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.9340 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.7300 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.8720 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 0.0430 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.7340 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -2.3640 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -1.8120 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9400 -0.1130 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 1.0430 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 1.2540 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -4.7980 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -4.6270 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -6.2900 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -6.4890 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -7.2830 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -7.0160 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -9.5200 -0.8390 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 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 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 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 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END