PUBCHEM-ZINC03614427 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0780 -1.1130 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.1540 -2.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -2.4340 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -3.4330 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -3.7170 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -3.0020 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -2.0010 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.7150 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -3.2900 -0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -2.3150 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 -1.1840 -0.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -2.6320 0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5940 -3.6490 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -2.5060 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -1.8930 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -1.7760 3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 -2.2790 4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -2.8930 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 -3.0010 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4430 -3.6510 1.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.3810 -4.0310 2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4610 -3.8070 0.6820 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.8520 -2.0430 5.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -1.0320 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -1.2260 4.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 -1.6460 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4030 -0.7710 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 0.6410 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2620 0.5620 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -0.3520 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.9930 -4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -1.3720 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.1790 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -3.9890 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -4.4950 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -1.4450 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -0.9340 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 -4.1900 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -1.5040 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 -3.2840 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -0.0370 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -1.1850 6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 -2.6560 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -1.2280 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3600 -0.7260 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3580 -1.1960 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3240 1.0810 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0960 1.2560 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.5590 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2150 0.1580 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 0.0600 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -0.4220 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 -1.6900 -0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 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 14 1 0 0 0 0 12 53 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END