IFLAB-ZINC04163819 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.6500 1.1730 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.0270 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.6020 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -1.7910 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -2.7990 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -3.8450 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -3.9000 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -2.9170 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.8800 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.8020 -0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.6110 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.1350 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.8780 3.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.3010 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 2.2340 2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.4090 4.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 2.6860 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 3.2780 5.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 4.6160 6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 4.5490 8.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 5.2270 8.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 6.6580 9.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 7.4430 8.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 6.7820 7.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1150 6.7200 7.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 7.5990 6.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 2.0760 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.1020 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 1.2820 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -2.7710 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -4.6200 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -4.7190 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -2.9630 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 0.5490 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 3.3640 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 2.5190 4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 2.5570 6.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 3.4080 5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 5.2560 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 4.5000 6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5530 7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 4.4690 8.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 4.6610 9.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 5.2170 8.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 6.6650 10.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 7.1370 9.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 8.4570 8.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 7.5470 7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 7.4870 5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 7.3120 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 8.6640 6.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 5.3370 6.9600 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0660 5.3920 6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END