PUBCHEM-ZINC02898323 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6760 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7320 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.9470 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.0520 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.8360 -3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.0630 -4.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.5630 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 0.3920 -5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 1.0250 -6.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 1.8340 -7.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 2.0150 -7.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 1.3820 -6.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 1.3620 -6.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 0.5280 -5.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 0.3150 -5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 0.9180 -5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 1.7400 -7.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 1.9690 -7.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 2.3790 -7.8670 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3390 2.1840 -7.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 3.1020 -8.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1410 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -1.7560 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -1.4520 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -1.4770 -3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.2360 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 0.8890 -5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.3250 -7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 2.6460 -8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -0.3230 -4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 0.7490 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 2.6080 -8.1080 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 2 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END