PUBCHEM-ZINC05696169 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7700 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0690 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0750 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1720 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -5.0000 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -6.2620 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -6.2320 0.2540 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0760 -4.9740 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -4.9380 0.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -4.1390 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -6.2230 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -7.0420 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -8.4460 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -9.1910 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -8.9480 1.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -8.1360 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -8.6220 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -6.7960 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -5.9440 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -10.4000 1.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3440 -10.8970 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -10.8230 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -10.7890 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -11.5320 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.5680 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2730 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5160 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0200 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -7.1520 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -5.7430 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 -6.4510 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -5.0030 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -10.3260 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -10.5420 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -11.9030 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -10.4560 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -11.8650 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -11.8110 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -4.4530 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -5.3220 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -3.6170 -0.6390 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 12 1 M END