IBS-ZINC02318089 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -0.7270 -1.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -1.1310 -2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -1.2820 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.8450 -2.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.7140 -4.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -2.0230 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -1.9230 -4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -2.4840 -6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -2.8020 -6.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -3.2330 -8.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.3340 -8.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -3.0010 -8.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.5970 -7.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -3.1050 -9.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.4790 -10.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -2.7840 -9.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -2.8820 -10.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -3.2680 -11.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -3.2960 -11.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -2.9420 -11.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -2.5130 -9.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -2.9070 -11.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -4.2600 -11.7360 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -1.7950 -5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -2.7130 -6.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -3.4850 -8.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -3.6670 -9.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.4860 -8.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -2.1250 -11.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -2.6990 -13.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -5.0420 -12.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -4.4670 -10.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -4.2350 -12.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END