IBS-ZINC02315050 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5530 -1.8510 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.4130 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -4.1430 -0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.5300 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -3.7080 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -4.3150 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -5.6060 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -5.7220 -0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -6.9020 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -7.7880 -0.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9140 -8.0310 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -9.0780 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -9.9560 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -11.1540 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -11.4770 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -12.7010 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -13.6110 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -13.3160 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -12.0700 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -11.7720 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -12.6810 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -13.9050 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -14.2320 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -7.0930 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -6.4680 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -7.6020 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 -6.0260 -0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 -6.6180 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -4.7770 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1650 -4.4130 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 -3.9190 -0.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2960 -2.5660 0.2960 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.3850 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -2.8440 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.9970 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -7.4630 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -6.5850 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -9.5640 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -8.8420 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -10.7740 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -12.9330 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -14.5560 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -10.8280 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -12.4500 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -14.6080 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -15.1850 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -6.8440 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -1.8960 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 -2.5780 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 -2.2180 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 M END