IFLAB-ZINC04942521 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.4330 1.4060 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.0030 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.4230 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.6190 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.0310 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.6770 1.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -1.6680 1.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -0.8200 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 0.8040 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 0.8260 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 1.9690 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 3.1550 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 3.1180 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 1.9890 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 2.1380 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 3.3620 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 4.4790 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 4.3770 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 5.2220 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 6.4010 1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 4.4560 2.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 4.8950 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 5.2690 4.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 4.9220 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 5.2770 4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 5.2860 4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8710 4.9480 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 4.6180 2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 4.5880 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 2.0730 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.7680 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 1.3800 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.6950 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.0010 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.4880 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 0.1120 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.1620 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.7610 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.1760 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 -0.0870 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 1.9270 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 1.3000 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 3.4670 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 5.4220 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 5.5380 5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9420 5.5550 5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 4.9540 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 4.3080 1.5940 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 M END