PUBCHEM-ZINC03172602 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.7160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -0.0350 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -0.7320 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -2.1330 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -2.8140 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.1080 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -2.8840 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -4.1920 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 -4.8530 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -6.1600 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 -6.9120 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -8.3110 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3440 -9.0090 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -8.3300 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5720 -6.9460 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -6.2330 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8210 -9.0880 0.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8050 -10.3050 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8840 -8.4930 0.0730 O 0 5 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 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 1.0450 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -0.2020 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -3.8940 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -2.6330 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -2.3570 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -6.6870 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -8.8430 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 -10.0890 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5170 -6.4230 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 -5.1530 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END