PUBCHEM-ZINC05930319 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.4860 0.6660 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.6550 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 2.3940 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 3.2820 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 3.3980 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 2.6180 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 1.7890 -2.6800 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8320 4.2010 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 3.4390 -5.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 2.6820 -7.0280 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 1.7940 -6.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 4.0180 -2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 4.2200 -1.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3110 3.7430 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 3.5180 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 5.6950 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 6.4860 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 6.0940 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 7.5990 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9840 7.9640 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2250 9.4740 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4250 9.8470 -3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7270 11.3500 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9490 12.1060 -3.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 2.2630 -0.5000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.1520 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 0.2280 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.1540 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 2.5980 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 5.1440 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 4.4820 -5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 5.0560 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 3.4800 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 2.4510 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 3.9490 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 3.6120 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 5.7550 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 5.5650 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9420 7.9410 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 8.1230 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 7.6120 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8770 7.4520 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 9.8270 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 9.9840 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2610 9.4930 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3230 9.3440 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 1.2040 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 1.9280 -7.6960 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3830 3.8330 -7.8390 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4360 4.0970 -1.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0740 3.2170 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 4.8390 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7330 11.6440 -4.5730 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 50 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 7 1 M CHG 1 25 -1 M CHG 1 48 -1 M CHG 1 49 -1 M CHG 1 50 1 M CHG 1 53 -1 M END