PUBCHEM-ZINC05138825 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.2170 1.1530 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.3250 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.6440 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -2.1300 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.4610 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -1.6590 -3.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -3.7970 -2.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -4.2600 -4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -5.7330 -4.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9300 -5.8850 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -6.2460 -5.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4670 -5.8690 -6.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -7.7620 -5.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5320 -8.0420 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -7.8580 -4.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4250 -8.5890 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -6.5650 -4.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -8.1970 -5.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -7.3860 -6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -7.9770 -7.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -9.2390 -6.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -9.3930 -5.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -10.4860 -4.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -11.4740 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -11.4690 -5.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -10.3380 -6.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -10.3110 -7.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -8.3410 -6.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3480 -5.8790 -5.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -6.5770 -6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 1.7660 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 1.4660 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.3580 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.6120 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.9110 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.3480 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -0.0510 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -2.4210 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.7220 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -4.1280 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -3.6670 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -6.3790 -6.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -12.3980 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -9.4680 -8.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -11.1360 -7.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 28 -1 M END