PUBCHEM-ZINC04679106 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.6000 1.7990 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.3210 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.4730 1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.8190 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.6470 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -4.0130 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -4.5630 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -3.7270 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.3610 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -6.0270 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -6.6820 2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.9990 2.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -8.2030 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -6.9980 0.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -6.7710 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -6.7940 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -6.4540 -2.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -6.4460 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -9.4380 0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -10.6630 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -11.8620 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -12.3860 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -13.4860 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -14.0630 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -13.5400 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -12.4420 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -15.2400 -1.4890 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1870 -15.7010 -2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -15.7490 -1.2770 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3860 1.9590 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 2.4040 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.0870 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 0.1600 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.0330 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -2.2210 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -4.6570 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -4.1480 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -1.7130 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -6.2220 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -7.5550 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -5.8010 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -6.0730 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -7.7920 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -6.1780 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -5.7170 -3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -7.4370 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -9.4940 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -10.6640 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -10.7040 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -11.9350 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -13.8940 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -13.9910 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -12.0360 1.7720 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 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 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END