IBS-ZINC04339607 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.1910 1.3500 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.1630 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.6020 -0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -0.8950 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -1.0960 -2.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -0.9360 -0.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -0.2900 0.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0590 -0.8260 1.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7640 0.0900 2.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 0.2710 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 0.7380 3.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -0.1280 2.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -0.3480 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 0.6920 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -2.2760 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -2.6130 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -3.9430 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -4.9350 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -4.5980 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.2680 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 1.1370 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 1.5680 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 2.8770 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 3.7560 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 3.3250 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 2.0170 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -1.5170 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.6840 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.5910 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.8540 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.6680 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.4080 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -1.3830 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 0.3200 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -0.1460 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.6390 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 0.8680 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 0.0170 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -1.8380 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -4.2060 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -5.9740 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -5.3730 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -3.0050 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.8820 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 3.2140 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 4.7790 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 4.0120 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.6820 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -1.9410 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -2.3010 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -0.7410 -0.9350 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 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 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 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END