PUBCHEM-ZINC05286064 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8330 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.6050 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.6700 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.9760 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.2200 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1480 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0670 -0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8090 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.2400 -2.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -1.8250 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.5800 -5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.4460 -5.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.7180 -6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -4.0280 -5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -5.0890 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -4.8590 -7.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -3.5660 -8.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.4950 -7.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -3.3320 -9.7720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0940 -4.2770 -10.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.1940 -10.2060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0910 -4.0180 3.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -3.6970 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.4060 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.4900 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -4.2350 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.3800 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -2.4030 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.2090 -4.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -6.1010 -6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -5.6940 -8.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.4860 -7.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -4.6170 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -3.1030 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -3.1270 5.3900 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END