PUBCHEM-ZINC06354189 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 70 0 0 1 0 0 0 0 0999 V2000 0.1060 2.5580 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.0850 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 0.3880 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.9370 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.5720 -0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.5060 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -2.7370 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -3.3090 -3.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -2.5840 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -1.3150 -4.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.6890 -5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 0.4050 -6.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -1.5700 -6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -1.3020 -7.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -0.0140 -7.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 0.3230 -9.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 1.7390 -9.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 2.2130 -8.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 1.1580 -7.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 3.5300 -7.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 4.6680 -8.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 5.9220 -7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 6.0540 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 4.9380 -5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 3.6850 -6.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 5.0770 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 4.0670 -4.1520 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6630 -3.1450 -5.6690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -0.6770 -3.6930 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7270 0.2920 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.4420 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 0.8640 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 1.1000 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 0.0570 -5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.2480 -5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.4990 -4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 0.3030 -6.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 1.6660 -6.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.7870 -6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -3.5920 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.7100 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 2.9490 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 3.1370 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.6990 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 0.9480 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -2.1040 -7.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.3780 -10.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 2.3320 -10.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 4.5940 -8.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 6.8000 -7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 7.0360 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 2.8160 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 1.7180 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 2.1400 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -2.1130 -5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.5320 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 2.1690 -7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 1.6920 -7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 2.2440 -5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -1.3910 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -0.4210 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -1.4290 -7.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -4.2170 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -4.2560 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.9990 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 6.2030 -3.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 2 45 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 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 66 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 M CHG 1 27 -1 M END