IFLAB-ZINC04315860 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.3800 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0040 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6800 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0330 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4260 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0920 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -0.6890 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -0.1190 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -1.1440 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -1.0520 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -2.3120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -2.0350 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -3.9290 -0.0250 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -4.9260 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 -6.4110 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -7.2180 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -8.5640 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -9.1060 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -9.3870 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -8.8440 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -10.7320 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -11.5000 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -10.9770 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -11.7400 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -13.0300 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -13.5660 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -12.8050 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -13.3540 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -13.7890 -1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9050 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5550 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9840 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1720 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 0.9390 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -4.7040 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -4.6920 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -6.6330 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -6.6460 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -6.7850 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -11.1660 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -9.9720 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -11.3290 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -13.6190 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -14.5720 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 3 0 0 0 0 M END