IBS-ZINC00554202 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.5170 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0120 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4980 -1.2450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2380 -0.0600 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -2.4420 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.9450 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.6140 -1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.5450 -1.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -5.9320 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -6.7610 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -8.1290 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -8.6740 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -7.8520 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -6.4820 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -8.4390 -3.7760 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3150 -9.6470 -3.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -7.7150 -4.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1630 -0.0780 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -0.9140 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.8960 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8830 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.8630 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.3780 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.3910 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.3760 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -2.4580 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0900 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.0070 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -4.0150 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -6.3360 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -8.7740 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -9.7450 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -5.8400 -3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.2230 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 1.4430 -1.1010 H 0 0 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 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 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END