IFLAB-ZINC04272257 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.6890 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.1920 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -1.4190 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -1.9010 5.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.1700 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.0130 7.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -2.6610 8.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.8180 8.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.9530 9.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.8270 9.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.1890 11.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -3.5700 11.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -3.4480 10.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -3.7740 10.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -4.2220 12.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -4.3470 13.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -4.0180 12.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -3.1810 11.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -1.8830 12.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.0480 12.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.6510 13.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -0.3920 13.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 0.1960 13.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -0.8010 13.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -1.9520 12.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -2.6470 13.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 0.2500 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -1.4300 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -2.1310 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.4520 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.4800 4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.1600 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.0260 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -2.4890 9.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -3.6780 10.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -4.4760 12.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.6980 14.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -4.1200 13.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -3.2800 10.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -4.0130 12.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.5870 14.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 0.3100 13.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 1.0540 14.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 0.5100 12.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -2.6390 12.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -1.6450 11.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -3.4370 12.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -3.0730 14.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END