IBS-ZINC02128778 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.0740 1.5250 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0030 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0380 -0.3200 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.4910 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.9360 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.4350 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.1720 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 0.5410 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -0.6490 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.9620 -3.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2150 -0.4780 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.4520 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -3.0250 -2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.5640 1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.3410 2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -1.5780 1.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.8930 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.7020 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -3.1950 5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -2.8890 5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.0870 4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -1.5830 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.7750 2.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.5530 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.3010 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 0.3990 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.8460 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.9450 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.8720 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.5460 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 1.0670 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 0.5830 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4820 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -1.5030 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -0.3540 -5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.9420 4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -3.8230 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -3.2810 6.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -1.8540 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -3.1440 -4.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -4.0980 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 40 41 1 0 0 0 0 M END