PUBCHEM-ZINC06491454 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 57 0 0 1 0 0 0 0 0999 V2000 0.3080 1.7420 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 0.2240 -0.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8800 -0.0680 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.4030 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -1.0020 1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.2130 2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.6900 3.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8390 -0.4070 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.2010 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.0380 4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 0.6440 4.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.3350 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.2560 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 0.3010 -2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.8840 -3.6450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4320 -1.8410 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.0940 -4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -0.4340 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.5160 -5.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 0.0050 -6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.1290 -4.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.5220 -4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.1190 -5.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.9030 -5.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.1330 -6.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -3.2280 -7.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -3.1900 -8.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 2.0460 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 2.2060 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 2.1570 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 0.3050 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.5020 3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.7220 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -2.5610 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.8090 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 1.0470 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 0.3200 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.4200 -4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.5530 -6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 1.5150 -5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.6140 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -0.9770 -6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -0.0350 -7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -2.2800 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -1.1500 -7.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -3.1070 -8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.2090 -7.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -3.3530 -8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -2.2510 -9.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.2510 5.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1570 0.9360 -6.8480 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7440 0.6260 -7.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 0.9950 -6.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 1.8890 -7.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -4.2790 -9.7020 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4940 -4.2580 -10.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -5.2070 -9.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -4.2040 -10.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 55 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 M CHG 1 50 -1 M CHG 1 51 1 M CHG 1 55 1 M END