IBS-ZINC06645703 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.4590 0.9580 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.5290 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.8020 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -2.2160 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.7000 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -1.9040 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -2.4870 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -3.8790 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -4.6750 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -4.0990 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -4.8120 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -6.2170 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -6.7480 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7350 -4.5470 -0.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5990 -5.6370 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 -4.1430 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -4.2330 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2620 -3.1840 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -3.2670 2.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -2.6220 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 -4.3580 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -4.9890 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -6.1540 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -6.6360 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -5.9790 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1480 -4.8260 4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 1.1240 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 1.4690 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 1.4180 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.9770 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.0280 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.3890 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -0.3400 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -0.8210 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -1.8270 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -5.7530 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -6.4260 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -6.7110 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -6.2570 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -7.8280 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -6.5380 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5270 -4.6600 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 -3.0660 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -2.3730 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -6.6800 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -7.5320 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 -6.3670 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -4.3150 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -4.5190 -2.8420 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4100 -4.2380 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -5.5330 -2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -4.0560 -2.9190 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 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 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 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 49 1 M END