IFLAB-ZINC04554309 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.3790 1.5040 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.0000 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.7330 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.1120 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -2.7610 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.0300 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.6480 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.0680 -2.1470 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -3.0450 2.8330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -4.2860 2.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.1700 3.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -3.3920 3.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -4.7020 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -5.3100 4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -4.3200 4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -3.0310 5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -2.3990 3.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8450 -2.0830 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -1.1890 4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.0920 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 1.1100 5.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 2.1780 5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 2.1120 6.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 3.4420 5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 3.5080 5.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 4.5100 6.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 5.7500 6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 6.6880 7.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 7.0660 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.8120 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.9220 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 1.8660 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.2270 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -3.8390 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5370 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -4.5780 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -5.3590 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -6.2370 4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -5.5180 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -4.0940 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -4.7600 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -2.3350 5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -3.2600 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -1.4860 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.8130 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 0.1410 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -0.4360 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 1.1370 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 4.4580 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 5.6830 6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 6.3830 8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 7.2390 8.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 7.8650 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 7.0090 6.0980 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 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 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END