IFLAB-ZINC00126390 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 34 0 0 0 0 0 0 0 0999 V2000 0.0200 1.4330 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0500 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.7030 1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.0680 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -3.0800 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.4290 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.8040 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -3.7900 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.4410 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.0210 -1.4080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.2120 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.5610 -1.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -7.9390 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -8.6520 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -10.0500 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -10.7620 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -10.0530 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -8.6490 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -7.5360 0.7980 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -12.2750 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -12.8550 -0.5680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9280 1.7880 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.7750 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.8940 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.8090 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -5.1730 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -4.0470 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -8.1140 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -10.5930 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -10.5890 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -12.8520 -2.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 31 2 0 0 0 0 M CHG 1 21 -1 M END