IFLAB-ZINC05251709 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.2760 1.4830 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.0240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.7180 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.1140 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -2.7230 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.0200 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.6970 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.6900 -2.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -2.1120 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -3.1050 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -4.3260 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -4.0790 -2.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -2.9320 -5.9590 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0760 -1.8130 -6.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -3.9080 -6.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0680 -2.8540 2.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -4.2400 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -5.0170 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -6.3790 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -6.9950 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -6.2100 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -4.8480 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -8.4580 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -9.1320 2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -9.1230 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 1.8620 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.8370 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 1.8420 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.1950 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.0530 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -5.3060 -4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4040 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -4.5410 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -6.9800 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -6.6810 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.2430 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -8.3620 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -9.7090 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -9.7790 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END