PUBCHEM-ZINC06397466 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 46 0 0 1 0 0 0 0 0999 V2000 1.4150 2.4510 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.0870 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.0210 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -1.3910 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.4600 -2.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -3.1470 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -4.3630 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -5.0970 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -6.3180 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -2.8740 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -3.8340 -4.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.1460 -3.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -2.4260 -4.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1540 -2.8050 -5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -3.4190 -4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -4.8250 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -5.9840 -3.7810 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -7.4860 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.1250 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -0.2100 -4.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 2.4850 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.6890 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.2290 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.8970 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.0940 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.1820 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -0.0250 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -1.6130 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -1.3970 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -3.4680 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -2.4350 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -4.0450 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -5.0490 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -5.4120 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -4.4210 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -6.8270 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -6.0350 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -7.0300 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -1.3010 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -3.0500 -3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -3.4660 -5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -5.1830 -5.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -4.8340 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -7.7270 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -7.3600 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -8.3190 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -1.1340 -6.3690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 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 2 0 0 0 0 19 47 1 0 0 0 0 M CHG 1 47 -1 M END