PUBCHEM-ZINC00627085 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 -0.2750 1.4720 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -0.0280 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.7410 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.1310 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.8140 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.1370 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -0.7320 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -2.8190 -2.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.1010 -2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -4.0660 -3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -3.6330 -4.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.3280 -4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.3500 -3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -4.3900 -5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -3.8010 -7.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -4.5630 -8.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -5.9530 -8.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -6.5620 -6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -5.7920 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -6.7970 -9.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -6.4430 -10.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -5.2930 -10.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -7.6350 -11.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7700 -8.0330 -11.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -7.1280 -12.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -6.9220 -13.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -7.4190 -12.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -8.2850 -11.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -8.7830 -11.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6520 -9.5190 -12.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -9.6130 -9.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -9.1490 -9.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.8400 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.8700 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.8640 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.2200 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -2.6900 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.9010 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -0.1570 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -4.3320 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -4.9060 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -3.3450 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -5.0390 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.5500 -4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -2.0650 -5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -3.0430 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -1.3620 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.7200 -7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -4.0340 -9.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -7.6470 -6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -6.3210 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -7.8330 -9.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -6.1940 -13.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -7.8590 -13.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -6.3240 -14.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -7.2100 -12.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -7.7220 -10.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -9.1410 -11.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -10.6550 -9.8990 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