PUBCHEM-ZINC03679321 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -3.0070 -1.6880 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -0.8620 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 0.7900 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 1.2220 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 1.0140 3.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 1.6040 4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.6290 6.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 2.2270 7.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 2.8010 7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 2.7570 6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 2.1570 4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 3.5150 8.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0350 3.2690 9.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 3.1660 9.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 4.0500 9.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 3.2990 9.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4210 3.6280 10.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3410 2.6090 10.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0330 1.2800 10.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 0.9270 9.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8910 1.9570 9.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 1.9020 9.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 1.0460 8.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7770 5.5190 9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 5.8590 9.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2110 6.8880 9.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 5.8340 10.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 5.5030 10.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -2.6600 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -1.6200 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -1.5230 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.7430 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -1.8750 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.1350 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.8240 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4380 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 2.2820 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 0.6290 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 1.1960 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 2.2490 8.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 3.1930 6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 2.1420 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6690 4.6610 10.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3030 2.8600 11.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7600 0.5020 10.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -0.1100 9.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 5.9980 8.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 5.9200 10.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.6250 1.7090 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9410 -0.6950 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 5.0060 8.3600 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6280 5.2210 8.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 5.2900 7.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 6.1280 11.8240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 49 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M CHG 1 54 -1 M END