IFLAB-ZINC04248509 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.3180 1.3000 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.2070 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.8990 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -2.3030 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -2.9660 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -2.2840 0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.9130 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.5130 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -1.5820 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -2.6940 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -1.5540 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -0.6910 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 -0.6640 1.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 -0.1280 2.6150 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 -0.1920 2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -0.8010 3.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 1.5790 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 2.5400 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 3.8790 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 4.2600 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 3.2930 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 1.9560 3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 5.6160 3.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 6.5320 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4490 6.1740 3.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 8.0010 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 1.6590 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.6460 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.6850 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -0.3710 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -2.8550 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.0450 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -3.7150 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -1.1340 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -2.5690 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -1.1110 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 0.3230 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -0.9600 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 2.2430 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1290 4.6290 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 3.5860 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 1.2030 4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 5.8970 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 8.1260 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 8.4990 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 8.4380 4.2880 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 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 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END