PUBCHEM-ZINC03725636 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.2480 1.3970 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.0780 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.7390 1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -2.0980 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.8830 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -4.2750 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.8620 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -4.0860 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -2.7050 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.8670 3.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -2.4440 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -5.0920 -0.4810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7800 -4.4420 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -5.4820 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -4.8450 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -5.4750 -3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -6.5740 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -6.8450 -1.1400 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -5.9110 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -7.1530 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -8.1390 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -6.9270 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.8240 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.9530 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.5360 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -0.4820 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.1870 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -2.4200 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -5.9310 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -4.5920 3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -1.6390 5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -3.1600 5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -2.9080 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -3.9590 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -5.1350 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -7.2310 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -5.1240 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -5.5340 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -7.8730 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -6.8640 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -8.5680 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -8.9200 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -7.2490 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -6.1650 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -6.2750 -0.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3590 -6.9770 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -7.8180 0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -7.2180 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 45 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 47 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M END