IFLAB-ZINC04855287 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0540 1.3690 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.0130 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.6800 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.0350 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.4170 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 2.0840 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -0.6930 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -0.9340 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -0.1390 -2.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -0.6520 -3.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -1.8130 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 -2.0310 -2.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -3.1190 -1.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -2.8880 -4.8370 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -1.9250 -6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -2.6710 -7.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -3.7490 -7.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -2.1420 -8.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -2.8760 -9.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -3.7160 -9.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -4.4400 -11.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -4.3290 -11.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -3.4930 -11.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -2.7620 -10.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 -5.1060 -13.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0070 -5.8430 -13.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 -5.0090 -13.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9990 1.8910 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.5710 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.7600 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 1.9750 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.1640 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -0.0890 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -1.6480 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -2.9820 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -3.9590 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -0.9590 -6.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -1.7700 -5.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -1.2520 -8.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -3.8040 -9.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -5.0940 -11.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -3.4080 -11.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 -2.1060 -9.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END