IBS-ZINC02133130 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.1510 1.7930 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.2720 0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6070 0.0700 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.3990 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.5480 1.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.3450 2.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.2890 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.1040 3.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0210 -0.6650 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.9880 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.3760 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -3.2100 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -2.6680 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -1.2930 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.4590 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 1.1130 3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 2.1960 3.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.4070 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.2080 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -1.3360 -1.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -1.9250 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -2.7720 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -3.4370 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -3.2540 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.4070 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -1.7460 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.9050 1.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -0.7660 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.2260 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 0.4880 2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 2.2820 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 2.1640 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 2.1260 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -2.8140 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -4.2820 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 -3.3160 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -0.8680 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 0.6110 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -2.9190 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -4.0990 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -3.7740 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -2.2760 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 0.8950 5.1080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 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 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 43 -1 M END