PUBCHEM-ZINC04281156 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.2460 2.6590 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.1730 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 0.3960 -2.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -0.9420 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.4450 -1.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -1.7880 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -2.1500 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -2.9270 -5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -3.2460 -4.6550 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -2.3120 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -2.1130 -2.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -2.6760 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -3.3580 -2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1300 -2.4630 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -1.1670 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -0.9760 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -2.0640 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 -3.3500 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -3.5560 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -4.9340 -0.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7890 -5.8830 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -5.1170 -1.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4450 -3.4540 -7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -3.1840 -7.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -1.8610 -7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.7030 -5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -4.1180 -8.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.8750 -8.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -5.4660 -8.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 2.8230 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.9700 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 3.2420 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 0.8620 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 1.0090 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5680 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -0.3170 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 0.0260 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 -1.9080 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 -4.1960 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -2.9440 -7.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -4.5270 -7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.0840 -7.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -1.7800 -7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.3170 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.6570 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -5.9520 -7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -6.0830 -8.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -5.3370 -8.9980 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END