PUBCHEM-ZINC05761489 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -1.8960 1.2600 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 0.1170 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 0.2970 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.0090 -0.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6660 -0.5690 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 0.0240 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -1.8260 -1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -2.1030 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -3.3830 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -3.6240 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -4.9010 -3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -5.8880 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -5.5250 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.3210 -2.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -7.2170 -3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -8.3890 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -9.6530 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -9.7710 -5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -8.6240 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -7.3600 -5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -2.6410 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -1.7860 -1.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2450 1.2470 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 1.2580 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 1.1600 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 2.2380 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.8140 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 1.2070 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -0.5540 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 0.3710 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -1.1870 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -5.1180 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -6.2110 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -8.3310 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -10.5420 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -10.7520 -5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -8.7070 -6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -6.4820 -5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 2.0700 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 1.0670 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 1.5800 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -1.1090 -1.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -2.7460 -3.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 42 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 21 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 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 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 43 2 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 31 42 1 0 0 0 0 M CHG 1 22 -1 M END