IBS-ZINC04089991 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 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 0.5120 -0.3560 -0.8950 H 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 3 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.1370 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 0.5490 -1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 0.0340 1.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -0.5500 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.5460 2.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.0340 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.0550 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -0.8130 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -0.2200 5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -0.2110 5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -1.2310 5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 0.6370 4.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 0.0430 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 0.3820 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9920 0.2820 6.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 0.7440 7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 1.2430 8.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3430 0.6410 7.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.5700 -0.3200 6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 1.7720 6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2680 1.5950 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7960 2.9360 4.9400 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.5470 2.5590 4.6490 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 0.7570 -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 -2.6960 0.8310 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -1.8330 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.8200 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -0.8240 6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 0.8000 6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.6430 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 1.6570 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.6470 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -0.9770 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -0.1680 7.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 1.4300 6.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 -0.1170 5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6440 2.7300 6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1960 1.7450 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4130 0.6360 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8610 1.6220 6.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6350 1.5760 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0820 2.5610 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9760 3.3120 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8620 1.6320 9.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -0.5470 -2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 0.7490 8.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0490 0.6180 8.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.2680 -3.2410 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 4 1 0 0 0 0 2 5 1 0 0 0 0 4 33 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 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 56 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 55 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M END