IBS-ZINC04087741 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 -2.1760 0.0510 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.7200 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.9100 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -1.9150 -2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -0.5140 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.4790 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -1.5400 -4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -1.1380 -6.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 0.2410 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 0.2060 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 1.2680 -5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 0.8660 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 0.6440 -7.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 1.9080 -8.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 2.4590 -9.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 1.9080 -9.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 3.7600 -9.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5110 3.7610 -9.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 4.9230 -9.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 6.2320 -9.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 7.6120 -8.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 9.0510 -9.2100 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 -2.6480 0.6550 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -1.5760 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -2.5230 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -1.8690 -6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -1.1030 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 2.2510 -5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 1.3030 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.5970 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 0.8300 -4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -0.1320 -8.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 0.7660 -7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 2.3490 -7.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 4.9760 -9.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 4.7660 -8.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 6.1800 -9.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 6.3900 -10.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 8.9280 -8.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 9.1370 -10.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 9.9530 -8.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 3.9120 -11.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.1730 2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 3.9100 -11.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 4.7430 -11.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 0.2230 3.1570 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