IFLAB-ZINC02694807 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.1910 -2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -0.1460 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.5930 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.3380 -3.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -1.6910 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -2.4910 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -2.7440 -6.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -2.2190 -6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -1.4370 -5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -1.1690 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.2160 -3.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -2.5560 -7.8590 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 -2.3930 -7.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -3.7590 -8.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 -1.3590 -8.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.3000 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -1.6990 1.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -1.6000 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -2.3420 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -2.4220 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -1.7670 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -1.0210 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -0.9320 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -0.2440 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 0.4440 -1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.4150 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.9060 -5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -3.3570 -7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -1.0290 -5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -1.0880 -9.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -0.9300 -9.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -2.8560 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 -3.0010 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -1.8370 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -0.5110 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 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 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 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 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M END