PUBCHEM-ZINC02047161 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.6030 0.2960 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.0960 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -1.1990 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.6030 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -2.7390 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8110 -1.9340 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -4.0840 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -4.8710 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -1.5190 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -1.2050 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -0.3190 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 0.0930 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -0.3520 4.4550 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5680 -1.2190 4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 -1.6970 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -2.4930 3.4590 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1500 -1.6160 5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 0.3240 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 1.4000 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7300 2.8950 0.8840 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 3.0110 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 0.3470 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.0510 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.5500 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -1.3320 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.8300 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.9430 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -0.4640 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.8360 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -3.3460 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -1.7820 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -0.6370 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 0.8220 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 0.0220 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -2.7030 6.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -1.2740 6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -1.1700 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -0.3850 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 0.6450 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -4.2180 -1.8650 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7450 -2.6590 0.9240 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2380 -3.5740 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -2.6980 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 2.8150 2.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6080 3.8450 0.4950 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 41 1 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 18 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 13 1 M CHG 1 16 -1 M CHG 1 40 -1 M CHG 1 41 1 M CHG 1 44 -1 M CHG 1 45 -1 M END