IBS-ZINC03999017 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3910 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 1.2230 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.4930 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.2370 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2210 3.6300 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 5.5550 -0.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1960 5.8080 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 6.6070 0.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9620 7.0480 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 5.8000 1.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9320 5.4860 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 4.6480 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 6.6340 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 5.9160 3.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 7.6210 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 5.4510 -1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.6900 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7180 -1.9080 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -0.0640 -0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.7630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1720 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9200 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.7610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.9630 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9700 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 6.8320 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 7.5780 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 6.3860 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 8.1190 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 4.7640 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -2.1100 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -2.5620 0.0090 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END