PUBCHEM-ZINC06471084 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0330 1.8310 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 0.3130 0.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9190 -0.0340 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.2020 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -1.4290 1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.2100 -1.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.9850 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -1.4980 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -2.2180 -2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -3.4210 -2.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.4370 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -0.0230 -3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.0230 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.4000 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 0.1110 -4.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -1.4360 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -2.7120 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.3550 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -4.1690 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -4.4950 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -3.9260 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -3.1950 0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 -5.3300 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -5.3770 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -5.6340 -3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.6450 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -4.3240 -3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 2.2430 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 2.1430 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 2.2830 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -2.2510 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.4060 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -1.9940 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 0.6440 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.3540 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 1.0450 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.6400 -5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.6400 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -1.6040 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -3.4300 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.4900 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -6.3420 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -4.9240 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -6.1470 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 -4.4160 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -6.6450 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -5.5550 -4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 0.6440 1.7080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 48 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 31 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 32 1 0 0 0 0 11 33 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 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 48 -1 M END