PUBCHEM-ZINC00627082 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 -0.8000 1.0840 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -0.3110 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -0.9660 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -2.2440 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.8680 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.2420 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.9510 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -2.8620 -2.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -3.7820 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -3.4150 -4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -3.2550 -4.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -2.2980 -4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -2.6940 -2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -3.9460 -6.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -4.3310 -6.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -5.0660 -7.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -5.4410 -8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -5.0560 -8.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.3200 -6.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -6.2250 -9.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -6.6870 -10.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -6.3280 -9.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -7.7880 -11.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9840 -8.5600 -10.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -8.4180 -11.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -9.3590 -12.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -9.3870 -13.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -8.4710 -13.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -7.3220 -12.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5680 -6.4960 -12.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -6.8290 -12.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -6.7920 -11.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 1.8100 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 1.2470 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.2650 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.4870 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -2.7610 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -3.8780 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.4030 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -3.7670 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -4.8030 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.4720 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -4.1980 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.3040 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -2.2020 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -3.6510 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -1.9590 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -4.1040 -5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -5.3490 -7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -5.3240 -8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -4.0260 -6.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.4860 -10.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -8.9570 -10.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -7.6420 -11.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -10.0350 -12.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -10.0990 -14.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -9.0910 -13.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -8.0450 -14.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -6.4930 -13.5010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 M CHG 1 59 -1 M END