IBS-ZINC04326211 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 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 1.1530 -0.6170 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.9570 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7030 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -4.1180 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -4.1300 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.8200 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.4100 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -2.2740 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -3.6460 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -1.7260 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -5.2790 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -6.4300 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -7.6650 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -8.8240 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -8.8090 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -7.6340 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -6.4150 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -5.2490 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -2.6410 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.6730 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 0.0700 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 0.3370 -1.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1090 0.8340 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 1.1940 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 0.6250 -2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -0.5090 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.8990 -2.0420 O 0 0 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 4.2960 -3.1600 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.4520 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -1.5900 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -4.3300 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -3.5490 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -4.0360 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -0.7490 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -1.6290 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 -2.4100 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.6930 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -9.7690 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -9.7430 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -7.6380 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -0.5150 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.0190 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 1.0780 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 2.2420 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 0.2270 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 1.3920 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -1.3490 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.1430 -3.9740 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 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 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 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END