IBS-ZINC02288678 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 4.3670 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 5.6890 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 5.6360 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 4.3370 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 6.7450 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 6.5510 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 7.5640 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 8.7580 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 7.0890 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 5.7650 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 4.9560 0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 5.0100 0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 8.0040 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 8.3320 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 9.2880 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 9.6150 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 10.5710 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8300 10.8930 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 10.4080 -5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.4450 -0.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -2.8390 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8590 0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.9280 -1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5210 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9380 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 4.0420 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 6.5790 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 7.7480 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 7.5330 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 8.9230 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 8.8030 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 7.4130 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 8.8170 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 10.2060 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 10.0860 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 8.6960 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2600 10.1000 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1480 11.4900 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.2660 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -3.8720 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8630 11.7190 -4.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0850 11.8960 -5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 50 51 1 0 0 0 0 M END