IBS-ZINC04817413 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.9210 1.4160 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -0.0680 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.8690 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.2290 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -2.7920 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.9840 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.6260 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -2.5910 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1680 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -4.8240 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.0610 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -4.6410 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -6.0920 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -6.8720 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -6.1830 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -6.9340 -0.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3310 -7.1570 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -7.3270 -0.5410 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5300 -8.1070 2.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -8.1040 4.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -7.0170 4.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -3.8640 4.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.9010 4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.4920 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.7790 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -3.1150 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.9200 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.7920 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 1.6100 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.4310 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -2.8540 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.0020 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.8830 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.8590 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.4690 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -4.6660 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.9870 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -3.1070 5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -2.9670 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.8750 5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -1.0180 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -1.9030 6.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.9930 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.9290 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.6640 5.5090 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END