PUBCHEM-ZINC05557716 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 0.4400 1.4830 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.0100 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.6940 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.0660 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.6790 -0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -1.9950 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.6820 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -2.6670 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -1.8240 -3.8310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.7820 -4.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.9440 -3.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.8060 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.5680 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 1.3660 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.7910 -4.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.5830 -4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.3810 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -2.8520 -4.3350 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2800 -3.3550 -4.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -3.5590 -4.1430 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0260 -2.8520 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.7030 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.8940 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.9310 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.1690 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -3.6320 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.0170 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 2.4390 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 1.4140 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -1.0320 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -2.9000 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -3.8620 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.3620 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 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 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END