IFLAB-ZINC05183362 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.6310 1.8300 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.3200 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.1510 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.5970 -0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.4730 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -2.1450 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.1650 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -4.5060 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -4.8600 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -3.8320 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -4.0050 -1.1820 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -2.2230 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -1.6170 -2.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -2.3900 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -2.9130 -3.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -2.4900 -4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -1.3270 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -1.3760 -5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -2.5820 -6.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -3.7450 -6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -3.7130 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -4.8110 -4.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -6.0630 -5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -5.7920 4.0470 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -6.9930 3.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -5.3170 5.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -5.8040 4.3620 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.6960 -6.1070 3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 2.1460 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.3370 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 2.1630 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 0.0150 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -0.1540 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 0.1740 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 0.3390 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.1150 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -2.9170 4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -5.8980 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.3800 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -0.4760 -5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -2.6220 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -4.6620 -6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -6.3610 -5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -6.0450 -6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -6.8140 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END