IBS-ZINC04081954 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8200 -2.4350 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.6300 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -3.8470 0.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5370 -3.6880 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.6120 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -4.4710 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -5.0910 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -5.8550 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -5.3540 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -6.5630 -0.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1180 -6.7760 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -6.3470 -1.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5020 -7.2460 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -5.1670 -2.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3920 -5.3960 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -4.9190 -3.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7820 -5.7910 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 -4.6740 -2.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2590 -3.7730 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 -5.8730 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2400 -5.6860 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -6.0670 -0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 -7.3600 -2.0250 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.2960 -8.5780 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8180 -4.5120 -2.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -3.7740 -4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -3.9990 -1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -7.7420 0.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7500 -7.5290 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -9.0050 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -7.9440 0.7450 O 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -1.8850 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -2.9400 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.6630 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -1.9970 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -5.4500 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -3.7770 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -4.5550 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -4.7430 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 -9.5270 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 -8.7190 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0670 -8.2210 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5230 -4.3530 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 -3.5590 -4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 -3.2110 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -9.2180 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -9.8450 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -8.8510 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -7.1820 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -3.9740 1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 61 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 9 61 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 10 61 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 M END