PUBCHEM-ZINC06411869 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 45 0 0 1 0 0 0 0 0999 V2000 -0.4020 0.2070 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -0.7320 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.0730 2.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3920 -1.3740 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 0.1560 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -2.2690 1.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1590 -3.0880 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -1.9140 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -1.9520 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.8140 0.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -3.5150 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -3.7790 2.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -3.9350 1.3350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8230 -3.0300 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -4.9110 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -5.3480 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -6.2980 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 -6.2300 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -4.9890 -3.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.1730 -4.5450 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 -4.4710 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8710 -6.8850 -3.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0900 -7.8200 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5290 -6.4720 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 0.3400 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 1.1960 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.1990 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.2740 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -1.6560 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -0.1040 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 0.9280 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 0.6010 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -2.6100 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -4.4430 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -5.8000 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -5.8540 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -4.4670 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -5.8250 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 -7.1670 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -1.6740 -0.2800 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8720 -6.8290 -1.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -7.7810 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 -4.5780 2.5090 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6270 -5.5480 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 -4.5430 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -4.0850 3.3650 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 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 40 -1 M CHG 1 43 1 M END