IBS-ZINC02198016 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -2.0260 0.0840 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 1.5270 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 2.5590 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 3.7700 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 5.0200 2.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 5.6810 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 6.8560 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 7.2990 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 6.3580 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 5.0540 0.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 6.3560 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 6.9470 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 8.4750 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 9.1670 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 8.5880 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 7.4880 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 8.5670 1.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 6.7840 3.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 5.5590 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 4.9040 4.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 7.3470 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 7.2710 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 7.7830 6.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 8.3850 5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 8.4850 4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 7.9720 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 8.8270 6.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 9.4440 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -0.7400 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 0.1400 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -0.0330 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.6350 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.6340 5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 2.4030 5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 2.2490 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.7670 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 3.6430 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 3.8590 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 5.3240 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 6.8930 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 6.5620 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 6.6050 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 8.7960 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 8.8390 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 10.2240 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 9.1580 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 9.3510 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 8.4420 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 6.8330 5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 7.7130 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 8.9470 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 8.0470 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 9.7340 7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 8.7450 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 10.3530 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 1.3690 3.7410 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5370 1.2840 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 56 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 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 21 1 0 0 0 0 19 20 2 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 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END