IFLAB-ZINC05154107 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.3240 0.8120 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.1180 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 3.0650 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 3.5690 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 5.0400 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 5.7890 -1.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 7.2160 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 5.1830 -2.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 5.2690 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 5.8970 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 5.4610 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 4.3890 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 3.7840 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 4.2260 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 2.5920 -3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 2.6890 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 2.9490 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 2.4150 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 3.8890 -1.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9560 4.3690 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 5.8540 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 6.1220 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.2600 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 1.1020 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.0690 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 1.4140 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.0330 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.6040 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 3.3310 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 3.5030 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 3.1260 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 3.2750 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 5.5870 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 6.7180 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 3.7400 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 2.5210 -4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 1.6870 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 3.5080 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 1.7580 -4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9920 4.1830 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 3.7780 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 6.4220 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4780 6.1940 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 5.7350 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 7.2050 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 1.5530 1.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0290 1.2690 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 46 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 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 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END