IBS-ZINC04956901 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.7680 1.7980 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.2990 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.4920 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -2.0030 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -2.8450 -0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5990 -2.4890 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.3580 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -5.0230 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -2.7420 1.6340 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -3.1970 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -2.5030 2.6210 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7110 -2.7500 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 -3.7540 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 -4.5890 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -4.2020 1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 -5.5630 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 -4.1200 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -3.6880 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1100 -4.6230 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8990 -4.2140 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2180 -2.8660 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7540 -1.9270 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 -2.3340 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 -1.9000 3.6750 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1010 2.3430 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.1030 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 2.0960 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 0.0390 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 0.0310 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.2120 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -0.2200 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -2.2360 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -2.2810 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -1.7320 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8630 -5.2050 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1930 -3.6850 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8520 -5.6750 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2610 -4.9460 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8270 -2.5490 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 -0.8760 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6060 -1.5920 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -4.7380 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -4.7650 -0.8460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 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 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 11 1 M CHG 1 24 -1 M CHG 1 43 -1 M END