IBS-ZINC04870963 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2570 -2.4180 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -2.5420 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -3.4170 3.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -3.8220 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -3.6240 4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -4.3940 5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -4.3780 6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -3.5980 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -2.8340 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -2.8350 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.2040 2.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.5120 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -2.6420 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -2.3680 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -3.1180 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -3.4330 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -3.8770 -3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -4.0080 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -3.6970 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -3.2590 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -3.8400 -5.9280 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9490 -4.2320 -6.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.5670 -6.0780 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -5.0020 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -4.9760 7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -3.5950 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -2.2300 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -2.7310 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -3.3300 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -4.1210 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -4.3560 -5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -3.0210 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END