IBS-ZINC05453748 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.5400 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.7500 3.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -3.8640 2.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.3500 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -4.5370 4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -5.7570 5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -5.9060 6.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -7.1410 6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -7.2460 7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -6.1320 8.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -4.9100 8.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -4.7820 7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -3.5680 6.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -3.4420 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -2.3550 5.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -8.4440 7.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -8.4840 9.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -4.7770 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -5.2130 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -6.1130 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.5820 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -6.1520 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -5.2540 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -4.8350 2.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -5.3660 3.0370 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 -1.0200 -0.3810 0.0100 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 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 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -5.3020 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -3.6230 4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -6.6010 4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -8.0060 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -6.2260 9.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -4.0530 8.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.7940 7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -9.4950 9.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -8.1930 9.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -7.7940 8.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -4.8480 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -6.4520 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -7.2860 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -6.5200 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -6.4510 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -4.9510 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -5.1010 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END