IBS-ZINC01804049 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 1.9880 -1.8260 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.7070 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -1.9880 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.4920 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -0.4720 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 0.9480 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.3650 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -3.8720 -0.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9030 -4.0780 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -4.3730 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -5.7560 -1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -6.3580 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -5.6360 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -6.2500 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -7.5890 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -8.3220 -2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -7.7110 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -8.4880 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -7.9550 -1.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -9.7890 -2.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -10.5530 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -10.3100 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -11.0670 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -12.0640 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -12.3080 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -11.5600 -3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -4.5430 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -1.6260 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -2.8330 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -1.1030 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -2.4300 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -0.7000 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -1.2660 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.9960 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.1130 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -0.0850 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.7930 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -1.1480 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 1.2700 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 1.6240 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 0.9620 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.8580 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -2.1630 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -4.2490 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -3.8000 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -4.5920 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 -5.6840 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 -8.0610 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -9.3650 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -10.1950 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -9.5310 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -10.8790 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -12.6540 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -13.0870 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -11.7540 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -4.4670 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.8740 0.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 57 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 M END