PUBCHEM-ZINC04684265 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 1.1840 1.5550 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 0.6140 0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2530 1.0790 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.7290 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -1.7410 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -2.9360 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.1070 -0.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.2230 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 0.9890 -1.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -1.7780 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -1.8320 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.4920 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -3.1010 -3.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -3.0460 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.3820 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -3.6950 -1.3150 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8730 -4.2520 -0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -3.6720 -1.9030 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4810 -3.7700 -4.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -3.7220 -5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -4.9520 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -4.9020 -7.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 -3.6350 -8.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -2.4050 -7.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.4550 -6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.0780 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 2.4820 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 1.7740 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.7270 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.9340 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -1.3590 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -2.5350 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -2.3360 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 -4.2660 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -3.7130 -5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -4.9620 -5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -5.8550 -5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -5.7790 -8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -4.8930 -7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 -3.6450 -7.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 -3.6000 -9.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -1.5020 -8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -2.3960 -7.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -1.5790 -5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -2.4650 -5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 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 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END