PUBCHEM-ZINC05979342 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.7580 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -2.1970 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -3.1020 -0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.7510 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -1.1700 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.4970 2.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6930 0.4220 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -1.6680 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -1.3620 4.3500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -2.7920 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -3.7900 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -4.9080 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -5.0370 4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -4.0460 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -2.9210 5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -4.1880 6.9470 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7530 -5.1770 7.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -3.3150 7.7960 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2530 -0.3640 3.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -1.3840 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -2.4120 3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -1.2470 4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -0.6060 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0680 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.3540 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.3750 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -4.0350 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.5870 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.7670 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -3.6910 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -5.6850 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -5.9130 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -2.1450 6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.4580 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -0.2620 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -1.3650 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -2.0160 5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END