PUBCHEM-ZINC04959666 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0550 2.1100 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 0.5880 -0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1030 0.3290 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.2190 0.9340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4250 -1.2830 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.0580 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -0.9190 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -0.4700 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.7170 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 1.2820 1.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.9230 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.5680 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -0.5930 4.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 0.3670 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 0.0810 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.1670 -1.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -1.0960 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.9100 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.4480 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.3710 -4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.7440 -5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -2.2010 -5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -1.2960 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.9180 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -2.5610 -7.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 2.4760 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 2.5820 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 2.4690 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.8340 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -0.9920 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 1.2780 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.8800 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -1.9150 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -1.3050 5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 0.4170 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 0.3110 3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 1.3740 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.9040 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 0.8660 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 0.8250 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -2.8010 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -3.4550 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.8970 -5.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.2380 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.0790 2.3200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3650 1.0110 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END