PUBCHEM-ZINC06547762 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 -0.0590 1.5410 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.0120 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -0.4990 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -1.8330 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -2.5500 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -2.4350 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4720 -2.1060 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9840 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -2.4850 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -3.7200 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -4.1820 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6870 -3.4060 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -2.1670 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -1.7070 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4280 -1.3370 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1500 -0.2490 -0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5770 -1.7400 -0.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.9680 -3.8580 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2200 -5.1420 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -3.8970 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -4.5560 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.9400 -2.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -6.0590 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -6.5530 -2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -8.0560 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.6720 -1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -8.7160 -3.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -10.1010 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -10.8930 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -12.2600 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -12.8400 -3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -12.0540 -4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -10.6870 -4.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -14.3320 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.9240 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.8990 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.8910 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.3380 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.3460 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -2.3880 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -0.8950 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -4.3240 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -5.1470 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -0.7410 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6270 -5.8950 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9450 -5.1290 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2780 -5.3820 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -4.3890 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -6.3640 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -6.4900 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -6.2480 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -6.1220 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -8.2300 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -10.4410 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -12.8770 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -12.5100 -5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -10.0740 -5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -14.8060 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -14.5580 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -14.7110 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 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 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END