PUBCHEM-ZINC01100270 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.3310 1.4840 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.0120 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -0.8430 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.1360 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -2.0970 -0.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.7640 -1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.2000 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -4.1920 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.2780 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -5.3790 -3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.3930 -3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -3.3010 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -6.5450 -4.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8680 -7.4140 -3.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -6.6350 -5.0650 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0650 -3.3670 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.4380 2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.1110 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.3220 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 0.6910 5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.6440 4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 0.9960 5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.4030 7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.4610 7.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 1.1040 6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.1510 7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 0.8040 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 0.3860 5.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 0.0440 4.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 1.7240 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 1.9120 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 1.8990 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -4.1140 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -6.0510 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -4.4740 -4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -2.5290 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -3.5950 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -4.2080 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.1880 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -0.1610 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 0.3300 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 0.9590 5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 1.6780 7.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 1.7790 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 1.4660 8.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 0.8490 6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 0.7810 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 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 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END