IBS-ZINC06664413 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.5520 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -3.8970 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -4.4460 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -5.8130 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -6.6340 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -6.0900 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -4.7230 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -8.1250 -0.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4170 -8.4020 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -9.7900 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -10.3120 -1.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -9.5710 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -8.5150 -1.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -7.9820 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -6.9150 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -6.6520 -4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -7.4120 -5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -8.4780 -5.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -8.7620 -4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -9.7080 -3.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -10.3470 0.6650 N 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -3.8040 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -6.2400 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -6.7340 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -4.2980 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -11.1550 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -6.3170 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 -5.8300 -4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -7.1640 -6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -9.0660 -6.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -11.0900 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -9.9980 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -8.8040 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 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 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 49 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 49 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END