IFLAB-ZINC05258135 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.2410 1.5940 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.1000 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.5530 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -1.9420 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.7080 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.0590 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.6620 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.0150 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.1140 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -4.9460 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -4.6270 1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -6.4100 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -6.9840 2.4380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4560 -6.6370 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -8.5280 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -8.9410 2.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -6.2180 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -5.9190 5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -5.5360 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.8620 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 2.0570 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 2.0200 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 0.0160 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -2.3890 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -2.6380 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 0.5030 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -0.7540 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 0.6970 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -4.5390 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -6.5470 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -6.9360 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -7.0700 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -5.3430 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -6.7980 5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -5.1030 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -4.6320 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -6.3480 7.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -9.1160 1.8850 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6620 -6.5600 3.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2100 -7.4680 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -5.8100 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -5.2430 7.4470 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6350 -4.9760 8.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -4.4660 6.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.0580 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 1 M CHG 1 42 1 M END