PUBCHEM-ZINC02003016 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 2.0920 1.2800 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.1960 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 0.1790 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -0.2250 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -1.9740 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -2.9380 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -4.3050 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -5.3130 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -6.5950 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -6.9300 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -8.2200 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -8.5370 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -7.5460 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -6.2610 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -5.9220 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -4.6180 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -3.5980 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.4350 -3.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -4.0000 -4.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -5.2410 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -5.4820 -4.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -9.2870 -1.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3990 -10.2400 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -9.1680 0.1460 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2240 2.0360 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.8530 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 1.7920 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 0.6010 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.4970 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.0190 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.2480 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -1.2830 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -0.0300 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.3550 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -1.8540 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.3480 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -2.5620 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -3.0350 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -5.1140 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -7.3290 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -9.5350 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -7.7750 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -3.3000 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.5850 -1.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6510 -0.7070 -1.3870 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 28 1 0 0 0 0 2 29 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 44 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 44 1 M END