NCID-ZINC05957543 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.0660 1.6720 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.1490 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0770 -0.2350 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.3980 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.8280 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.3280 2.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.8320 3.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9950 -0.7720 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -2.2640 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -3.2990 2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -3.7800 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -4.7230 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -5.1910 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -4.7200 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -3.7790 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 0.0970 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 0.7780 4.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 0.0520 5.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 0.8110 7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.5160 8.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -0.2900 7.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.3560 -1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.3720 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.0220 -2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.8940 -3.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.0300 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 0.3370 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.6470 -5.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -1.9900 -4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 2.0740 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 2.0830 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 2.0480 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.1040 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -2.5750 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.2830 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -3.4190 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -5.0890 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -5.9220 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -5.0830 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -3.4140 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -0.5140 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.8760 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.5520 7.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.7270 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 1.0340 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 0.2540 -6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 0.7960 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -2.6120 -5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.8020 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -1.0050 -5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -1.5720 -4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -2.2200 -5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -2.9280 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 1.1080 9.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 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 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END