PUBCHEM-ZINC03185550 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 1.2460 2.3770 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 0.9170 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 0.0820 -1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.5180 -1.5280 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.8540 -1.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -2.1940 -3.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6470 -1.8770 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.6990 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.3550 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -5.7360 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -6.4600 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -5.8040 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -4.4230 -2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -6.5800 -2.2920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7830 -7.7960 -2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -6.0020 -2.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7190 -1.7040 -4.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -0.4260 -4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 0.2300 -4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.1240 -5.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -2.1550 -0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -1.9040 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -2.6600 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 2.4900 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 2.6670 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 3.0130 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 0.6260 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.8030 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -3.7890 -3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -6.2480 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -7.5390 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -3.9110 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -0.4000 -5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.0440 -5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -0.8360 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -2.2440 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -3.7290 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -2.3200 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -2.4690 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 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 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END