IBS-ZINC05452017 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 1.3190 1.1900 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.1720 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -0.7540 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.0310 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -0.6240 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -1.9390 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.6680 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -2.0780 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.8120 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -2.7850 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -3.2050 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -2.8960 -1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -3.9040 -2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -4.3230 -1.9530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7530 -4.2050 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -3.5040 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -3.4700 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -5.7740 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -6.6660 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -7.9130 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -8.0070 -0.4660 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -6.2960 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -4.2490 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -3.4590 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -3.8020 -5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -4.9300 -5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -5.7190 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -5.3840 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 1.2690 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 1.5310 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 1.8080 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.9970 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -0.0590 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.3990 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -3.6950 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -3.4620 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -1.7740 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -6.3740 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -8.7380 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -5.7520 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -2.5770 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -3.1880 -6.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -5.1970 -6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -6.5990 -4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -6.0030 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 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 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 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 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END