IBS-ZINC04040155 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.1140 1.4600 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0420 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.6920 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.1790 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -2.7740 1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.8790 1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -2.2150 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.8260 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -0.2560 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -1.0600 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -2.4510 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -3.0320 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -3.1010 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -4.5430 -0.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7560 -4.9200 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -5.0420 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -6.1130 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -6.5840 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -5.9950 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 -4.9380 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -4.4650 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -5.0680 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -4.5050 2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -0.0460 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.9910 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.8040 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.7930 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 0.8190 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.5930 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -4.1060 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -6.5880 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -7.4130 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0130 -6.3650 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2280 -4.4840 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 -3.6500 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -0.1060 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -0.5500 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.0020 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -6.0090 1.5410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END