KEYORGANICS-ZINC04054659 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.2090 1.6300 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.6940 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 0.5320 0.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0020 1.5140 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -0.3000 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -0.1500 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -0.1660 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.9660 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 0.9460 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -0.1980 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -1.3260 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -1.3150 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -2.5260 0.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9860 -3.5170 0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -2.5300 0.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7940 -0.2150 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 2.1910 -1.4070 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1950 3.2130 -1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 2.1770 -1.5800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2780 1.8240 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.1620 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.5700 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.2800 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 1.1170 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -1.2480 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 0.2460 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -0.4920 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 0.2760 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 1.8260 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -2.2180 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 -0.5460 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 -0.9000 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1560 0.7880 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 17 1 M CHG 1 19 -1 M END