PUBCHEM-ZINC05042045 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.6030 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -2.1260 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.7680 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -4.2260 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -5.0050 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -4.2960 0.1570 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -6.3430 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -7.2030 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -8.1270 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -8.8440 -1.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -7.9150 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -6.9820 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -9.8150 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -10.6060 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -11.5650 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -11.7370 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -10.9510 -4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -9.9940 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -12.7650 -5.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6420 -13.4580 -5.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -12.9180 -6.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7850 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7780 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -0.2920 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.2850 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.4370 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.4440 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -2.4570 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.4500 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -4.6320 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -7.8010 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -6.5850 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -8.8450 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -7.5330 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -8.4800 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -7.3240 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.2180 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -7.5580 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -10.4720 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -12.1810 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -11.0870 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -9.3830 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 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 14 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END