IBS-ZINC02262763 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 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 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 -2.0720 -0.7580 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -1.2370 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -1.2510 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -0.7770 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 -2.0920 0.0450 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -1.7270 1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -1.7120 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -3.7450 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -4.4580 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 -5.9280 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 -6.6590 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -5.9900 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1280 -6.7030 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6030 -5.9510 0.0800 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.7010 -5.2920 1.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7250 -5.2750 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8320 -7.2130 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3020 -7.7170 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2660 -8.7070 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7600 -9.1940 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2910 -8.6900 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3300 -7.6970 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8110 -10.2750 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2000 -9.6350 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1070 -4.5200 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 -3.7890 0.0630 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 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 -1.5740 -0.5660 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.4180 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.4430 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.5990 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -6.4180 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 -7.7370 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9160 -7.3360 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6330 -9.1010 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6760 -9.0710 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9650 -7.3000 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7050 -10.8870 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6860 -10.9000 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9600 -10.4170 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3060 -9.0230 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3250 -9.0100 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -4.0300 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -2.7110 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 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 38 1 0 0 0 0 8 39 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 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 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 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END