IBS-ZINC01178240 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -4.2170 2.2660 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.9980 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 0.1110 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -1.0510 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -1.3270 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.4400 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.7210 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.8080 1.1410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.5660 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -3.2040 2.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -3.9750 0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -3.8540 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.8870 -1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -4.8040 -0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -4.6090 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -3.8850 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -3.6940 -4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -4.2230 -4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -4.9460 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -5.1480 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -6.0750 -0.6480 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 -6.3840 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -7.4830 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 -7.7230 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7390 -6.8700 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4270 -5.7740 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1160 -5.5320 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 3.0610 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 2.5540 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 2.0980 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 0.3260 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -1.7440 3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -0.6540 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 1.4120 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -4.7470 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -5.6230 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -3.4700 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -3.1300 -5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -4.0710 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 -5.3570 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -8.1500 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9870 -8.5770 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7660 -7.0590 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2100 -5.1100 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 -4.6800 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 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 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END