PUBCHEM-ZINC00627075 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.0050 1.2400 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.2630 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.9780 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.3690 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -3.0640 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.3650 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.9610 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.3320 -2.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.5430 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 0.7830 -4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 1.5020 -4.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.7650 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4540 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.9010 -5.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 1.9770 -6.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 2.3770 -7.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.7160 -8.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 2.6470 -8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 2.2490 -6.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 3.1430 -10.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 3.2910 -10.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 2.9670 -10.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 4.0050 -12.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3260 4.9900 -11.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 4.2380 -12.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 3.0260 -13.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 1.9770 -13.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 1.9300 -13.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 3.3040 -13.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7660 3.9360 -14.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 3.1540 -12.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 3.4670 -11.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 1.6800 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.6090 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 1.5990 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.4460 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.9050 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -4.1480 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.9300 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.9860 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.2460 -4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 1.4190 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 0.5430 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 2.4330 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 2.2900 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -0.1490 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 0.6790 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 1.6920 -5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 2.4070 -8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 2.9110 -8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 2.2470 -6.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 3.3660 -10.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 4.5550 -12.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 5.0580 -13.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 3.0120 -13.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 1.1160 -14.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 1.1940 -12.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.5600 -14.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 2.7500 -13.6640 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 39 1 0 0 0 0 7 8 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