IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.0090 1.1230 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.6090 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 2.9290 -1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 0.7170 -2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -0.6910 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -1.2540 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.4380 -3.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -0.2610 -3.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 1.0270 -3.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3830 1.6040 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 1.7970 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 3.1660 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 3.8760 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 3.2120 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 1.8370 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 1.1330 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 3.9260 -2.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 5.3890 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 3.2130 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -0.4360 -5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -0.5070 -4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -0.6900 -6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 -0.7620 -5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -0.9450 -7.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -1.0150 -6.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5110 -0.9270 -5.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -1.3320 -1.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.0330 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.5020 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.4820 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 3.6820 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 4.9450 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 1.3180 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 0.0630 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 5.6960 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 5.7920 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 5.7670 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 2.1480 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2830 3.5950 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 3.3630 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.4080 -5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.3590 -5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 -1.3510 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 0.4160 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 0.1530 -6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -1.6140 -6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 -1.6050 -5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 0.1620 -5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -0.1010 -7.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -1.8680 -7.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 3.1920 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0000 -1.1750 -7.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9360 -1.2140 -7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 52 53 1 0 0 0 0 M END