PUBCHEM-ZINC05797760 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.9500 1.3700 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 0.1570 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -0.1710 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.6600 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -0.3660 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -1.1820 -3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.3280 -3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -2.6570 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.8320 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -3.1780 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.2580 -4.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -4.9940 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -5.0980 -6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -5.8340 -8.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -6.4820 -8.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -6.3930 -7.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -5.6620 -6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -7.1810 -7.8550 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -8.6000 -7.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -6.6260 -9.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -7.2640 -9.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -6.8350 -10.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 1.1340 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 2.0700 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 1.9000 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.1950 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -1.1390 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 0.5680 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 0.5170 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.9080 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -3.5530 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -2.1370 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.8520 -5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -4.6050 -6.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -5.9030 -8.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -5.6080 -5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -8.2360 -9.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -5.8610 -10.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -7.4590 -11.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -6.7380 -6.7570 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 40 -1 M END