IBS-ZINC04029825 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 34 0 0 1 0 0 0 0 0999 V2000 -3.6230 -0.4660 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 0.0740 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 1.6070 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.6320 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1870 -0.4570 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -0.9530 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -0.3770 4.1120 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -1.0480 4.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.0970 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.7640 6.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.2920 8.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9350 7.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 1.1310 4.1780 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.1270 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -3.0180 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -0.0200 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -1.5500 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -0.2270 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -0.1260 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.0740 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 2.0210 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 1.9240 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 0.6050 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -0.9590 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.0460 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -0.5640 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -2.1830 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.7220 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.3260 6.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -1.1480 6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.0140 9.1810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4060 -2.2440 -1.5000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0740 0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.9380 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.3540 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 31 -1 M CHG 1 32 -1 M END