IFLAB-ZINC00952036 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4430 2.1380 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 0.6940 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.4110 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.5320 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.1380 -0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 0.2610 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -1.9820 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.5880 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.4210 -4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -3.6480 -4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -4.0430 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -3.2120 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.8120 0.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3660 2.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0920 0.6700 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -1.1580 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -1.0150 4.3310 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.7900 4.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.1220 5.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2110 -0.9720 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.1560 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.7090 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -2.0850 4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -2.9020 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -2.3440 3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -2.6320 5.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -4.0550 5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 2.4440 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.7590 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 2.2550 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.6310 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.1150 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -4.2980 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -5.0010 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -3.5190 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -3.1460 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.7750 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -2.2100 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 0.9150 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.0710 5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -3.9730 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.9790 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 -4.3590 5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -4.5070 5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -4.3850 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END