IFLAB-ZINC05043139 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.7830 1.2360 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -0.2610 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.6970 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -0.6550 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -1.0550 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -1.4960 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -1.5390 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.1430 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.0050 4.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -1.7100 4.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -1.4920 5.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -3.7600 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -4.5480 4.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -6.5040 4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -7.9080 5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -8.5390 5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -7.8160 5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.4540 5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -5.7730 5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -4.3590 4.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -3.5990 5.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -3.7930 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -2.8330 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -3.1040 5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -2.9430 3.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3360 -1.9160 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -3.8990 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -3.2690 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 1.4330 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.5520 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 1.7920 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -0.4580 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -0.8160 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.3100 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.0220 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -1.8830 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -1.1800 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -4.0700 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -8.4830 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -9.6180 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -8.3410 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -5.9040 5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -4.8200 6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -3.5930 7.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -2.9880 7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.8050 6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -4.1200 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -2.3940 5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.7770 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -4.9260 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.5900 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -3.1540 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -4.2960 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -5.8580 4.8630 N 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 2 32 1 0 0 0 0 2 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 38 1 0 0 0 0 13 54 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 54 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END