PUBCHEM-ZINC01210657 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 1.5010 -0.8260 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -2.2750 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -3.2680 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -4.5990 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -4.9400 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -3.9410 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -2.6080 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -4.2810 -2.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -4.4700 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -4.3750 -2.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -4.8140 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -5.1080 -5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -5.3960 -6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -5.3910 -6.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -5.0940 -5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -4.8070 -4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -4.4660 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -4.3670 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -5.7000 -7.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -5.3650 -8.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -6.4150 -7.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -6.5700 -8.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -7.2390 -8.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -7.7560 -6.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -7.6060 -5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -6.9440 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -8.1620 -4.3860 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4290 -8.7510 -4.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -8.0310 -3.4960 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -6.2490 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -0.4810 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -0.2300 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.7200 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -3.0030 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -5.3720 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -1.8300 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -5.1120 -5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -5.6250 -7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -5.0900 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -6.1660 -9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -7.3600 -8.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 -8.2790 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -6.8320 -5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -6.6240 -0.1510 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 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 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 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 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 44 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END