IFLAB-ZINC02461656 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 47 0 0 0 0 0 0 0 0999 V2000 2.8320 0.7290 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.5780 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -1.3640 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -2.5410 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.9610 -0.2360 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5200 -2.2340 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -1.0180 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.9000 -2.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -2.6050 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -4.0690 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.0880 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -5.0990 0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -4.8600 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -3.7980 2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -5.8860 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -7.1070 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -8.0640 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -7.8210 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -6.6040 5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -5.6390 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -6.6160 6.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -7.6840 7.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -8.5920 6.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -5.0960 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -5.6030 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -6.5590 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -6.8390 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -5.8680 -0.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 0.5530 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.4160 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.1630 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -1.0420 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -3.1470 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.4290 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -5.9700 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -7.2990 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -9.0070 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -4.6950 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -7.3080 7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -8.1710 7.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -5.2830 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -7.0460 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -7.5590 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 1 5 1 M END