IFLAB-ZINC05250768 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 2.1330 1.3990 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.0180 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 0.0000 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 1.3810 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.4830 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 4.1690 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 3.5780 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 5.6580 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 6.2500 0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 6.3440 0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 7.8040 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 8.2790 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 9.8040 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 10.4270 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 9.9520 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 8.4270 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.1610 0.0040 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0610 -2.7620 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.7780 -0.6450 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8640 1.9440 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.5160 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.5490 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.9110 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 3.9590 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 5.8710 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 8.1080 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 7.8350 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 7.9750 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 10.1080 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 10.1420 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 11.5130 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 10.1230 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 10.2560 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 10.3960 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 8.1230 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 8.0890 -1.4520 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END