PUBCHEM-ZINC04565626 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.7450 1.2270 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.1560 -0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.4500 -0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5210 0.2620 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.3490 1.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3520 -1.0240 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -0.7420 1.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1790 -0.0430 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -2.0640 1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.2060 -0.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3300 -1.5260 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -1.8720 -0.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1270 -1.9350 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -2.7970 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -3.6340 -1.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -4.6280 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -3.9850 -2.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -2.4880 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -3.6470 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -3.9510 -0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -4.2500 -1.1670 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8290 -4.5500 -1.9570 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.7050 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -0.9460 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.0260 1.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 1.2710 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 0.3510 3.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 2.6590 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 2.9160 4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 4.2140 5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 5.2590 4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 5.0110 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 3.7180 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 1.3670 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 1.5550 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.8140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -2.1140 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -3.0080 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.6510 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -3.7650 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -4.3290 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.9010 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -0.1890 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -1.9340 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.7610 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 2.1010 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 4.4140 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 6.2740 4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 5.8320 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 3.5250 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 22 -1 M END