IFLAB-ZINC02694844 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.2230 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2170 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.6960 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -1.4420 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -1.8310 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -2.6390 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -2.9300 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 -2.4360 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -1.6460 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -1.3390 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -0.3790 2.3100 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6570 -2.8200 1.3160 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1070 -1.7920 2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3000 -3.1350 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6400 -4.2160 2.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5360 -4.1510 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7310 -5.5140 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -1.2380 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -1.6360 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -1.5090 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -2.2180 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -2.2770 -4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -1.6340 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.9210 -4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.8540 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.2110 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.4490 -2.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.3410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -3.0300 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 -3.5500 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 -1.2610 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -3.1090 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4120 -4.6190 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -4.6780 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7290 -5.8710 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2240 -6.2300 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 -5.4090 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.7220 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -2.8290 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -1.6870 -6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -0.4210 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M END