SPECS-ZINC02569500 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8610 -2.5100 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.6410 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -4.1480 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -4.8140 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -6.1960 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -6.9110 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -6.2450 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.8630 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -8.3910 -1.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9930 -8.9780 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -9.0210 -2.4440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -2.2700 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -2.3060 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -4.2550 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -6.7170 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -6.8040 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.3430 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -3.5080 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -2.5050 -2.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -2.1400 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 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 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END