IBS-ZINC02231001 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.3560 0.2010 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.2000 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.5690 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -0.6010 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -0.9740 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -2.3130 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -3.2860 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -2.9150 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -3.8680 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.3340 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -4.6030 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -4.9110 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 0.0800 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2180 1.0480 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 0.1550 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 0.3870 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 0.2210 3.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 0.3240 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0680 -0.0930 2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 -0.1550 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 -0.4160 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 -0.7110 -0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 -0.2810 -0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -0.4660 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 0.8350 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 1.8480 -2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 0.7500 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -0.1210 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.2230 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 1.4290 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.3010 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 1.9670 3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 2.8200 2.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 0.3560 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 0.6620 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.6530 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 0.4450 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -2.6000 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -5.0890 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -3.4990 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.7700 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -4.4830 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -5.9920 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -4.4920 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -0.7320 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -1.2630 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 0.6710 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 1.1540 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 2.7020 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -1.0630 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.4520 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 1.6920 4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 3.2410 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 3.4570 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 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 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 M END