PUBCHEM-ZINC05489321 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.8200 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.2950 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.2610 -1.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7260 0.2160 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -1.7720 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.0130 -2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.0930 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -0.0790 -3.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -0.0080 -4.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.2500 -6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.4260 -5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.3360 -4.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 0.6860 -7.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 1.9950 -6.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 2.3110 -8.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 1.2190 -8.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -0.1390 -8.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3420 -0.1440 -9.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.3840 -7.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -1.2420 -8.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.3370 -7.3650 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5950 -0.6620 -8.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 1.4080 -7.7660 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9040 -0.1900 -4.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 2.2300 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 2.1010 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 2.2160 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 0.0150 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.1150 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -2.2480 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -2.1680 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -1.9750 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 0.1370 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 1.9740 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 2.7620 -6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 3.2750 -8.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 2.3450 -9.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 1.2110 -7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 1.4180 -9.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.3450 -7.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.3940 -6.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -1.0650 -9.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -2.2090 -8.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -1.2390 -8.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.3700 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -0.1370 -5.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 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 19 1 0 0 0 0 17 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END