IBS-ZINC04813261 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.1130 1.0440 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 0.6530 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 2.9530 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 3.4450 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 4.8880 2.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 5.6540 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 6.9870 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 7.7960 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 7.3140 1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 9.1480 2.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 9.7870 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 11.0070 3.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 8.9910 4.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 7.6230 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 6.9950 5.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -0.0310 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.2940 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.5840 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.9470 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -0.4080 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 0.8510 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 3.4200 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 3.1990 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 3.1190 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 3.0200 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 5.4370 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 5.0530 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 9.7420 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 9.4610 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.4520 1.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8510 1.1980 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 30 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 30 1 M END