IBS-ZINC05450789 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 0.1970 1.4140 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.1040 -0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7550 -0.5680 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.4870 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.9800 -2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -0.5910 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.6240 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.2520 2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -1.1880 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -1.1300 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -1.7290 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 -1.0490 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 -1.9550 2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6110 -1.7310 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -3.2220 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -3.1130 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -4.2860 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -5.5170 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -5.5920 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -4.4450 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.7800 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.8960 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.7530 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.9320 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -0.6180 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -2.2230 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -1.6550 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -0.0880 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 0.0030 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.2380 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -6.4220 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 -6.5580 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -4.5070 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -0.2760 -1.6310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 34 -1 M END