IFLAB-ZINC02705309 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.1130 1.7380 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.3060 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -0.5880 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -1.0330 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.4150 2.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -1.0020 2.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2730 -0.0330 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -2.1570 3.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7830 -2.9850 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -2.7520 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -2.3900 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -2.8850 1.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -3.6860 2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -4.0310 2.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -4.1170 3.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -3.8350 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -4.4570 4.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -4.9690 4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -2.5350 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -1.5430 0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.9540 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.2970 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.6660 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.2300 5.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -1.8520 6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.8920 7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.3100 6.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -0.6930 5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.5090 8.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -1.1960 9.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3440 0.3630 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 2.2000 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 2.3730 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.7660 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -1.5100 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.0700 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -4.6090 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -5.9810 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -5.0020 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -2.8620 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -3.0130 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -1.4510 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -1.3510 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.2080 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.9880 5.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.3210 7.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 0.4390 6.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -0.2320 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 0.7600 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.6320 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.0080 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 0.4730 9.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 31 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 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 18 1 0 0 0 0 16 17 2 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 52 2 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 1 30 -1 M END