PUBCHEM-ZINC02457543 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.3940 0.9130 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.2360 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 0.3600 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 1.0790 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 1.6990 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 1.6240 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 2.3190 -2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 2.8430 -1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 2.4480 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.2170 2.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8600 -0.8420 2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.0460 2.2860 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5880 -0.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2610 -1.5020 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -1.0840 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -0.4790 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -2.2550 -2.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.8480 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -4.3030 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -4.2370 -3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -2.8590 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.1960 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.8310 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -0.1720 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 1.1660 0.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 2.0810 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 1.4600 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 1.5550 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 2.6440 -0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 0.9010 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 1.1690 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 2.4860 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.9370 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -2.7240 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.7540 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -4.8620 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -4.8150 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -4.3530 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -5.0420 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2730 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.9260 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -2.4330 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -1.1070 -4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -1.7710 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -1.0090 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -0.7940 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -0.0680 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 3.0300 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 2.2930 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 1.3220 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.0930 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 0.7640 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 0.0890 0.1520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3350 0.2330 1.1410 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 53 1 M END