PUBCHEM-ZINC02893747 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.3970 1.4050 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.1010 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.6930 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.8500 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.2510 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -2.9440 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 -2.2620 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.8700 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.1680 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -2.9710 -0.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -2.0620 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 -2.8820 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -4.6760 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -3.8560 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -4.5170 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 -5.2220 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8580 -6.5260 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -7.2630 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6010 -6.7070 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 -7.3990 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 -8.6420 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -9.1990 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -8.5190 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 -9.1190 -2.0650 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0360 -10.1740 -1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -8.5570 -3.1460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4090 1.7820 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.7920 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 1.7310 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.7810 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -4.0240 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.3440 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 0.9110 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -1.4250 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -1.4420 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -3.4810 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6220 -2.2100 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -5.3130 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -5.2970 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -3.2570 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -4.5290 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -3.8290 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1470 -5.2530 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6840 -4.6630 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 -7.0520 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0670 -5.7360 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1830 -6.9700 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -9.1800 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 -10.1700 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -3.7670 -1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 50 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 50 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END