IFLAB-ZINC04941716 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 2.9550 7.3860 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 8.4300 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 8.6580 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 7.8400 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 6.7940 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 6.5640 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 5.5030 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 4.2600 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 3.5290 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 4.3490 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 5.5380 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 3.7090 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 2.2320 0.3890 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 2.1120 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 3.8060 1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 2.4950 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 1.7250 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 1.9910 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 2.7610 2.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 0.6800 1.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 0.1840 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -1.3260 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -1.8360 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 -2.3120 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -2.8460 5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 -3.1390 4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 -1.9110 3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -1.7650 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 9.6810 0.1790 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 7.2110 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 9.0700 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 8.0190 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 6.1550 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 4.3880 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 3.4160 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 1.4150 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.8120 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 4.4340 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 0.0640 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 0.6780 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.3990 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -1.8200 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -1.5410 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -2.3260 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -2.1080 6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -3.7640 5.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 -3.3400 5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4160 -4.0030 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -1.0200 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -2.0480 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9310 -2.5660 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 -0.8040 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END