IFLAB-ZINC02717935 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1710 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.9740 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -6.2980 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -6.2400 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -4.9870 0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -7.3540 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -8.5170 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -7.0380 -2.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -7.7430 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -5.7310 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -4.7420 -1.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -5.3590 -4.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -3.5500 -4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -2.9940 -5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -3.7460 -5.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.6610 -5.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -1.1470 -6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 0.1140 -6.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 0.4250 -7.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.6230 -8.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -2.0880 -7.5310 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -7.0900 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -3.2200 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -3.1940 -4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.0590 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 1.4460 -7.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -0.5810 -9.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 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 18 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 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M END