IFLAB-ZINC04061753 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.1690 -0.1420 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.2480 -0.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1230 1.3410 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.3270 0.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2170 0.0200 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -1.8450 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -2.6140 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -4.0120 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -4.2760 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.8470 0.9490 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -0.4470 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 0.2540 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 1.6430 3.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 2.4520 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 1.7730 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 2.1700 3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 1.9550 5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 2.4820 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 3.2360 5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 3.4560 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 2.9260 3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 3.0570 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 3.7780 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -0.0790 0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.2070 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.6590 2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.1500 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.3730 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.2170 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.1350 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.1960 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -4.7860 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -5.2440 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -1.4360 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.5350 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.3100 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 0.2270 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 3.4770 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 2.5440 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 1.7040 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 2.3280 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 1.3920 5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 2.3110 6.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 3.6510 5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 4.0410 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 3.2880 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 4.8200 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 3.7780 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -0.5330 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -0.0300 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.5090 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -1.1880 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 0.3370 1.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9780 0.4240 2.0040 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 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 53 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END