IFLAB-ZINC04086955 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 0.2960 1.0690 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.4390 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -0.8720 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -2.3870 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -2.7190 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -1.9860 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -0.9010 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -0.2350 -2.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -1.3500 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -2.2420 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -3.2670 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 -3.4210 -0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -3.9970 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -4.9950 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -1.3310 -2.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -0.4610 -3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9920 0.4570 -3.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -0.7730 -3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6200 0.1490 -4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3820 -0.2580 -4.6400 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.7340 0.7070 -6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4100 0.0900 -7.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7210 0.8100 -8.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3680 2.1540 -8.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7070 2.7800 -7.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3950 2.0600 -6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -0.3520 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 1.3680 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.6330 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 1.3760 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.9320 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.6300 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -1.9510 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.3600 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -2.7280 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -2.8490 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -3.8020 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -2.4470 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -4.5320 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -5.7240 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -5.5150 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 -2.0540 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 -1.8210 -3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5700 -0.6610 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5330 1.1930 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 0.0300 -5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6950 -0.9570 -7.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2410 0.3220 -9.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6120 2.7160 -9.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4390 3.8300 -7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8980 2.5760 -5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.6670 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.7390 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.8780 0.1080 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.4640 0.9170 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 31 1 0 0 0 0 2 54 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 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 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 39 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 15 42 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 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 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 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END