PUBCHEM-ZINC05551895 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.1290 1.7790 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.0350 -0.0900 S 0 3 0 0 0 0 0 0 0 0 0 0 0.6910 -0.4420 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -0.4320 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.9510 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3250 -2.3790 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -2.2980 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9370 -1.3910 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -3.1510 -1.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9640 -2.5400 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -3.6460 -1.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0470 -3.8860 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.5150 -1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -4.8080 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.7940 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -6.0020 0.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -6.8660 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -6.1100 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -6.7300 -1.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -8.0340 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -8.7860 -0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -8.2560 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -9.0520 1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -4.2510 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -3.0540 1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 2.1360 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 2.1430 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 2.1480 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0170 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.5250 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.0290 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.0080 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.0120 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -3.9100 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -8.5060 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -8.6520 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -10.0100 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.9900 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -3.3010 1.2950 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 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 2 1 M END