IBS-ZINC02130318 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.1540 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -0.8520 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -0.6610 1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -1.6740 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -2.4390 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -3.9340 0.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4220 -4.1800 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -4.2500 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -5.5430 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -6.8390 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -7.8540 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -7.6170 -2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -6.3440 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -5.2940 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -3.9480 -2.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -3.4960 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -3.3320 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -1.8530 -1.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7710 -1.2700 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.5050 -1.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.1510 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -4.7400 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -4.5990 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 -5.3380 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 -6.2220 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 -6.3670 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -5.6300 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 -5.7750 2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -6.7090 3.1340 C 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 0.2320 -0.1590 2.1380 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 -1.7230 -0.4190 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 0.9230 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -2.1480 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -2.2380 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -7.0340 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -8.8690 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -8.4540 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -6.1720 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.0880 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -1.2780 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -1.5860 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -3.9090 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5020 -5.2250 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -6.7980 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -7.0570 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 -6.4100 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -7.7020 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -6.7280 4.0090 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 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END