IBS-ZINC04785197 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.1080 1.6020 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 1.0520 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 3.2680 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 3.5500 2.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 3.4950 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 3.1890 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 3.2080 5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 3.5300 6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 3.8360 5.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 3.8200 3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 4.0920 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 4.4340 2.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 4.7090 3.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 4.9400 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 4.9100 2.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 5.2360 5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3760 5.4440 4.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1650 5.7300 5.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4350 5.9380 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2580 6.2360 7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6300 6.4620 6.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3940 6.7390 8.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8020 6.7960 9.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4380 6.5720 9.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6670 6.2890 8.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5590 7.0700 10.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8870 7.1130 11.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 3.8990 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 4.0310 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.5350 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 1.9570 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.1400 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 1.3380 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.0090 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 1.2450 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.8530 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 3.5340 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 2.9360 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 2.9690 6.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 3.5410 7.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 4.0870 5.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 4.7330 4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 4.3940 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 6.1330 5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8940 5.8940 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0900 6.4180 5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4540 6.9140 7.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9820 6.6170 10.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6080 6.1110 8.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6050 7.3410 12.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4250 6.1460 11.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1170 7.8840 11.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.8370 0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 53 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 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 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 M END