IBS-ZINC04940537 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -3.3690 -0.2390 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -1.4570 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.6530 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -2.7750 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -3.7070 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -3.5170 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.3900 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -4.8990 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -5.3240 0.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -5.5060 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -6.8270 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -7.0560 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -8.1740 -3.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -5.8190 -3.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -4.7340 -2.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1110 -4.2380 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -3.7370 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.4170 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -1.4730 -3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -1.8460 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -3.1460 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.0920 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -0.9380 -2.7950 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -5.6010 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -5.0160 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -4.0550 -5.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -7.8450 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 0.5810 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -0.4460 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 0.0800 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.9370 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -2.9180 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -4.2370 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -2.2490 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -2.1250 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.4550 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -3.4180 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -5.1090 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -4.9330 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -6.5640 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -8.6640 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -5.5510 -6.7320 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 42 -1 M END