IBS-ZINC06645552 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.3920 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.9100 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -2.2370 -2.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6850 -1.7310 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.7260 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.3440 -4.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.7830 -4.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.4910 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -1.6040 -5.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.0230 -6.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1830 -0.1030 -6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.1010 -6.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -1.6140 -8.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.3620 -9.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -0.4360 -8.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.7640 -7.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 0.9510 -9.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.3140 -9.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 0.7230 -11.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.2170 -8.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 2.9960 -7.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 3.9890 -7.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 4.2030 -7.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 3.4240 -8.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 2.4340 -9.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.0240 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.0400 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.3260 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.3420 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.6920 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -3.0140 -7.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -2.3050 -5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -2.3720 -8.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -0.6880 -7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.3040 -9.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.9220 -10.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 0.0710 -7.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -1.6570 -7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.8290 -7.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 4.5980 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 4.9790 -7.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 3.5920 -9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 1.8280 -10.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -4.3650 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -5.3200 -2.2540 H 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 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 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 49 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 49 50 1 0 0 0 0 M END