IBS-ZINC06244441 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.4410 2.0340 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 0.6280 0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.2640 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -0.1330 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -1.2890 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.5250 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -2.6300 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.4770 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.3250 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.0480 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.6090 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.3420 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -0.7750 -5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.1180 -6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 0.9120 -6.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 1.9490 -5.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 1.4070 -4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -3.6990 3.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -4.1960 4.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -5.5210 5.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -3.1390 5.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -4.3780 3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -5.5590 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -5.7160 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -4.7040 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -3.5320 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -3.3670 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 2.5910 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 2.3370 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 2.2170 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 0.8190 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -1.1940 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -3.5740 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 0.9440 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.4950 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.6360 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -1.2460 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.5210 -5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.2260 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -0.8650 -7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.3030 -7.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 2.7110 -6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 2.4200 -6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 0.9750 -4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 2.1930 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -4.4710 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -6.3620 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -6.6330 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -4.8340 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -2.7540 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -2.4570 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 0.2870 -4.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2010 0.6770 -4.6580 H 0 0 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END