PUBCHEM-ZINC03869173 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.2380 1.8890 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 0.5330 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.3560 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.1650 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 1.5220 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 2.3890 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 3.8300 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 4.4240 -1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 4.4000 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 5.7850 0.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8620 6.4380 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 5.9190 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 5.6330 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 5.8080 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 6.0890 -2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 6.1940 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 5.1940 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.7480 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.7370 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.1230 1.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2430 -2.3300 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -3.2880 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -4.6060 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -5.7440 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -5.6070 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -6.8650 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -6.7630 2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -8.0890 1.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -8.1080 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -7.0000 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -7.0670 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -9.2750 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -4.3680 1.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.2300 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -3.4020 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 2.5500 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 0.2010 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.4540 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 1.8790 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 3.8880 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 6.9340 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 5.2400 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 4.5990 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 6.2900 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -3.6260 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -2.3600 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -2.5050 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -3.1820 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -4.7060 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -10.1350 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -9.3410 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -4.3660 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -1.4480 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 5.6380 -4.1260 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9330 7.4310 1.8650 O 0 5 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 54 1 0 0 0 0 16 17 2 0 0 0 0 16 55 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END