PUBCHEM-ZINC03639874 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.7060 1.2230 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.2710 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -1.0890 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -2.4750 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -3.0260 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -2.2350 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.8520 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -2.9780 -2.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -4.3510 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -5.3030 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -6.6770 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -7.5790 -3.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2690 -8.8730 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -10.0520 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -11.2640 -2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -11.3100 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -10.1530 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -8.9400 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -7.3670 -2.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2530 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -7.4300 -5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -7.1300 -6.0530 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1440 -4.7690 -0.7420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -2.3280 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -1.8720 -4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -1.3020 -5.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -0.5830 -5.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 0.5060 -4.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -1.6870 -5.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 1.6290 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 1.6770 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 1.5110 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.6440 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -3.1070 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2030 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.0300 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -10.0490 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -12.1790 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -12.2630 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -10.1950 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -7.8900 -3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -6.2260 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -6.8250 -5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -8.4460 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -3.0190 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.4830 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -1.1220 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -2.7130 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.0870 -6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -0.5130 -5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -0.1530 -6.9870 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 12 1 M CHG 1 22 -1 M CHG 1 51 -1 M END