IBS-ZINC02130017 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.7260 0.5090 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 0.1410 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -1.1870 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.0880 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.1270 2.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1170 -1.0010 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -0.3640 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 0.6320 2.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.0530 3.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 1.3220 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 0.5660 3.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.6630 4.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6480 3.3910 3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 2.6010 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 3.1070 4.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 3.9570 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 4.3490 2.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 4.4010 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 5.2560 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 5.6600 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 5.2110 4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 4.3560 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 3.9540 5.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 3.0960 6.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 2.7590 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 2.6410 5.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 1.8730 6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.2410 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 0.5820 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 1.4770 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.9290 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -2.0090 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.4400 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -1.1350 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -0.7060 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 1.0260 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.6680 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 1.7020 6.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 2.5660 5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 3.4820 6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 5.6100 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 6.3240 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1040 5.5260 4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 4.0120 6.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -1.4920 1.9320 O 0 5 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 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 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 45 1 0 0 0 0 9 10 1 0 0 0 0 9 37 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 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 45 -1 M END