
  Mrv0541 05311208042D          

362374  0  0  0  0            999 V2000
   12.4491   10.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3919    0.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4995   11.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   15.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   15.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7258   12.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    3.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6367   10.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5705    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1558   11.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   14.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780   14.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9058   12.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1064   10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0929    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344   11.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203   13.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477   13.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747   11.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2939   10.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2715    1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907   10.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   13.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2298   13.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   11.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7636    9.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7939    1.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1693   10.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9627   12.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995   12.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236   10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9511    9.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9725    1.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8255    9.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738   11.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9817   11.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036   10.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    9.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4949    2.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050   10.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   11.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725    9.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    8.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6735    2.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6604    8.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   10.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   10.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525    9.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2656    8.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8391    8.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    9.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033    9.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214    9.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7353    8.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3745    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953    7.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935    8.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854    8.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969    3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3246    8.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201    8.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    8.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    7.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5566    4.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979    4.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5088    6.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070    6.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    2.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    4.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0755    3.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    6.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358    7.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    7.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765    4.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497    8.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    7.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1651    6.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    4.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1786    5.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    4.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9999    5.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    4.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953    3.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    3.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1338    3.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7616    1.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0471    1.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    5.9222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533   -5.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2989    4.7283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0838    5.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313    3.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    2.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -14.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7318    2.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    6.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4328    3.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892    6.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385    8.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    8.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    5.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016    5.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009    5.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    2.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007    4.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3899    2.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525   -0.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396   -1.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4761    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7616    0.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591    4.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8914    5.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    5.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4618   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555    4.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    3.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    2.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4505    3.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3493   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    3.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7813    4.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808    7.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498    7.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    3.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    3.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437    6.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589    5.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347    1.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650    1.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256    3.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114    3.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161    4.9705    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.4328    3.3057    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    3.7330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -3.1895    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698    2.7553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611    2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4193    4.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8526    7.6509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    7.2701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913    7.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559  -12.9308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -9.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468  -13.1502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1559    4.9652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592   -7.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804    3.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737  -10.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    5.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    5.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401  -13.1502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2835   -4.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448  -13.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -9.7567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803    5.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -7.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401  -10.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -13.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545   -2.1123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -1.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -4.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077    1.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    3.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -3.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -4.2683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222    3.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -0.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963    3.6395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7453    5.6773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232    5.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -3.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347    1.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    4.0195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -2.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    0.2865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    3.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    4.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9552    3.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -9.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  1  0  0  0  0
 33 27  1  0  0  0  0
 34 28  1  0  0  0  0
 35 29  1  0  0  0  0
 36 30  1  0  0  0  0
 37 31  1  0  0  0  0
 38 32  1  0  0  0  0
 39 33  1  0  0  0  0
 40 34  1  0  0  0  0
 41 35  1  0  0  0  0
 42 36  1  0  0  0  0
 43 37  1  0  0  0  0
 44 43  1  0  0  0  0
 45 38  1  0  0  0  0
 46 39  1  0  0  0  0
 47 40  1  0  0  0  0
 48 41  1  0  0  0  0
 49 42  1  0  0  0  0
 50 44  1  0  0  0  0
 51 45  1  0  0  0  0
 52 46  1  0  0  0  0
 53 47  1  0  0  0  0
 54 48  1  0  0  0  0
 55 49  1  0  0  0  0
 56 50  1  0  0  0  0
 57 51  1  0  0  0  0
 58 52  1  0  0  0  0
 59 53  1  0  0  0  0
 60 54  1  0  0  0  0
 61 55  1  0  0  0  0
 62 56  1  0  0  0  0
 63 57  1  0  0  0  0
 64 58  1  0  0  0  0
 65 59  1  0  0  0  0
 66 60  1  0  0  0  0
 67 61  1  0  0  0  0
 68 62  1  0  0  0  0
 69 63  1  0  0  0  0
 70 64  1  0  0  0  0
 71 65  1  0  0  0  0
 72 66  1  0  0  0  0
 73 67  1  0  0  0  0
 74 68  1  0  0  0  0
 77 75  1  0  0  0  0
 78 76  1  0  0  0  0
 96  7  1  0  0  0  0
 96 83  1  0  0  0  0
 97  8  1  0  0  0  0
 97 84  1  0  0  0  0
 98  9  1  0  0  0  0
 98 85  1  0  0  0  0
 99 10  1  0  0  0  0
 99 86  1  0  0  0  0
100 11  1  0  0  0  0
100 87  1  0  0  0  0
101 12  1  0  0  0  0
101 92  1  0  0  0  0
102 69  1  0  0  0  0
102 79  1  0  0  0  0
103 70  1  0  0  0  0
103 80  1  0  0  0  0
104 71  1  0  0  0  0
104 81  1  0  0  0  0
105 72  1  0  0  0  0
105 82  1  0  0  0  0
106 88  1  0  0  0  0
107 89  1  0  0  0  0
108 90  1  0  0  0  0
109 91  1  0  0  0  0
110 93  1  0  0  0  0
111 94  1  0  0  0  0
112 95  1  0  0  0  0
113 79  1  0  0  0  0
114 81  1  0  0  0  0
115 73  1  0  0  0  0
116 74  1  0  0  0  0
117 80  1  0  0  0  0
118 82  1  0  0  0  0
122106  1  0  0  0  0
123107  1  0  0  0  0
124109  1  0  0  0  0
125108  1  0  0  0  0
126110  1  0  0  0  0
127111  1  0  0  0  0
128119  1  0  0  0  0
128122  1  0  0  0  0
129123  1  0  0  0  0
130124  1  0  0  0  0
131125  1  0  0  0  0
133129  1  0  0  0  0
134132  1  0  0  0  0
141101  1  0  0  0  0
141135  1  0  0  0  0
142 96  1  0  0  0  0
142136  1  0  0  0  0
143 97  1  0  0  0  0
143137  1  0  0  0  0
144 98  1  0  0  0  0
145 99  1  0  0  0  0
146100  1  0  0  0  0
147112  1  0  0  0  0
148120  1  0  0  0  0
148126  1  0  0  0  0
149121  1  0  0  0  0
149147  1  0  0  0  0
150127  1  0  0  0  0
150138  1  0  0  0  0
151135  1  0  0  0  0
151139  1  0  0  0  0
152140  1  0  0  0  0
153132  1  0  0  0  0
153144  1  0  0  0  0
154136  1  0  0  0  0
155137  1  0  0  0  0
156130  1  0  0  0  0
157131  1  0  0  0  0
158146  1  0  0  0  0
159145  1  0  0  0  0
159152  1  0  0  0  0
160158  1  0  0  0  0
161154  1  0  0  0  0
162155  1  0  0  0  0
163160  1  0  0  0  0
164121  1  0  0  0  0
165119  1  0  0  0  0
166120  1  0  0  0  0
167133  1  0  0  0  0
168134  1  0  0  0  0
169138  1  0  0  0  0
170139  1  0  0  0  0
171140  1  0  0  0  0
172157  1  0  0  0  0
173156  1  0  0  0  0
178163  1  0  0  0  0
178174  1  0  0  0  0
179161  1  0  0  0  0
179175  1  0  0  0  0
180162  1  0  0  0  0
180176  1  0  0  0  0
181 75  1  0  0  0  0
182 76  1  0  0  0  0
183177  2  0  0  0  0
184113  2  3  0  0  0
184120  1  0  0  0  0
185114  2  3  0  0  0
185121  1  0  0  0  0
186119  1  0  0  0  0
186177  1  0  0  0  0
187 83  1  0  0  0  0
188 84  1  0  0  0  0
189 85  1  0  0  0  0
190 86  1  0  0  0  0
191 87  1  0  0  0  0
192 88  1  0  0  0  0
193 89  1  0  0  0  0
194 90  1  0  0  0  0
195 91  1  0  0  0  0
196102  1  0  0  0  0
197103  1  0  0  0  0
198113  1  0  0  0  0
199114  1  0  0  0  0
200115  2  0  0  0  0
201116  2  0  0  0  0
202117  2  0  0  0  0
203118  2  0  0  0  0
204122  1  0  0  0  0
205123  1  0  0  0  0
206124  1  0  0  0  0
207125  1  0  0  0  0
208126  1  0  0  0  0
209127  1  0  0  0  0
210128  1  0  0  0  0
211129  1  0  0  0  0
212130  1  0  0  0  0
213131  1  0  0  0  0
214132  1  0  0  0  0
215133  1  0  0  0  0
216134  1  0  0  0  0
217135  1  0  0  0  0
218136  1  0  0  0  0
219137  1  0  0  0  0
220138  1  0  0  0  0
221139  1  0  0  0  0
222140  1  0  0  0  0
223161  1  0  0  0  0
224162  1  0  0  0  0
225163  1  0  0  0  0
226174  2  0  0  0  0
227174  1  0  0  0  0
228175  2  0  0  0  0
229175  1  0  0  0  0
230176  2  0  0  0  0
231176  1  0  0  0  0
232177  1  0  0  0  0
248 92  1  0  0  0  0
248168  1  0  0  0  0
249 93  1  0  0  0  0
249164  1  0  0  0  0
250 94  1  0  0  0  0
250167  1  0  0  0  0
251 95  1  0  0  0  0
251178  1  0  0  0  0
252 77  1  0  0  0  0
253 78  1  0  0  0  0
254104  1  0  0  0  0
254115  1  0  0  0  0
255105  1  0  0  0  0
255116  1  0  0  0  0
256106  1  0  0  0  0
256165  1  0  0  0  0
257107  1  0  0  0  0
257167  1  0  0  0  0
258108  1  0  0  0  0
258172  1  0  0  0  0
259109  1  0  0  0  0
259173  1  0  0  0  0
260110  1  0  0  0  0
260166  1  0  0  0  0
261111  1  0  0  0  0
261169  1  0  0  0  0
262112  1  0  0  0  0
262164  1  0  0  0  0
263117  1  0  0  0  0
263148  1  0  0  0  0
264118  1  0  0  0  0
264149  1  0  0  0  0
265141  1  0  0  0  0
265170  1  0  0  0  0
266144  1  0  0  0  0
266168  1  0  0  0  0
267145  1  0  0  0  0
267171  1  0  0  0  0
268151  1  0  0  0  0
268169  1  0  0  0  0
269150  1  0  0  0  0
269172  1  0  0  0  0
270152  1  0  0  0  0
270170  1  0  0  0  0
271156  1  0  0  0  0
271165  1  0  0  0  0
272157  1  0  0  0  0
272173  1  0  0  0  0
273158  1  0  0  0  0
273171  1  0  0  0  0
274142  1  0  0  0  0
274179  1  0  0  0  0
275143  1  0  0  0  0
275180  1  0  0  0  0
276146  1  0  0  0  0
276178  1  0  0  0  0
277154  1  0  0  0  0
277180  1  0  0  0  0
278160  1  0  0  0  0
278179  1  0  0  0  0
279147  1  0  0  0  0
280153  1  0  0  0  0
281155  1  0  0  0  0
282159  1  0  0  0  0
283166  1  0  0  0  0
285233  1  0  0  0  0
285234  1  0  0  0  0
285235  2  0  0  0  0
285279  1  0  0  0  0
286236  1  0  0  0  0
286237  1  0  0  0  0
286238  2  0  0  0  0
286280  1  0  0  0  0
287239  1  0  0  0  0
287240  1  0  0  0  0
287241  2  0  0  0  0
287283  1  0  0  0  0
288242  1  0  0  0  0
288243  2  0  0  0  0
288252  1  0  0  0  0
288281  1  0  0  0  0
289244  1  0  0  0  0
289245  2  0  0  0  0
289253  1  0  0  0  0
289284  1  0  0  0  0
290246  1  0  0  0  0
290247  2  0  0  0  0
290282  1  0  0  0  0
290284  1  0  0  0  0
291 96  1  0  0  0  0
292 97  1  0  0  0  0
293 98  1  0  0  0  0
294 99  1  0  0  0  0
295100  1  0  0  0  0
296101  1  0  0  0  0
297102  1  0  0  0  0
298103  1  0  0  0  0
299104  1  0  0  0  0
300105  1  0  0  0  0
301106  1  0  0  0  0
302107  1  0  0  0  0
303108  1  0  0  0  0
304109  1  0  0  0  0
305110  1  0  0  0  0
306111  1  0  0  0  0
307112  1  0  0  0  0
308119  1  0  0  0  0
309120  1  0  0  0  0
310121  1  0  0  0  0
311122  1  0  0  0  0
312123  1  0  0  0  0
313124  1  0  0  0  0
314125  1  0  0  0  0
315126  1  0  0  0  0
316127  1  0  0  0  0
317128  1  0  0  0  0
318129  1  0  0  0  0
319130  1  0  0  0  0
320131  1  0  0  0  0
321132  1  0  0  0  0
322133  1  0  0  0  0
323134  1  0  0  0  0
324135  1  0  0  0  0
325136  1  0  0  0  0
326137  1  0  0  0  0
327138  1  0  0  0  0
328139  1  0  0  0  0
329140  1  0  0  0  0
330141  1  0  0  0  0
331142  1  0  0  0  0
332143  1  0  0  0  0
333144  1  0  0  0  0
334145  1  0  0  0  0
335146  1  0  0  0  0
336147  1  0  0  0  0
337148  1  0  0  0  0
338149  1  0  0  0  0
339150  1  0  0  0  0
340151  1  0  0  0  0
341152  1  0  0  0  0
342153  1  0  0  0  0
343154  1  0  0  0  0
344155  1  0  0  0  0
345156  1  0  0  0  0
346157  1  0  0  0  0
347158  1  0  0  0  0
348159  1  0  0  0  0
349160  1  0  0  0  0
350161  1  0  0  0  0
351162  1  0  0  0  0
352163  1  0  0  0  0
353164  1  0  0  0  0
354165  1  0  0  0  0
355166  1  0  0  0  0
356167  1  0  0  0  0
357168  1  0  0  0  0
358169  1  0  0  0  0
359170  1  0  0  0  0
360171  1  0  0  0  0
361172  1  0  0  0  0
362173  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB001506

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO[C@]3(O[C@]([H])([C@@]([H])(C)CO)[C@@]([H])(OC4([H])O[C@]([H])([C@@]([H])(C)CO)[C@@]([H])(OP(O)(=O)OP(O)(=O)OCCN)[C@]([H])(OC5([H])O[C@]([H])([C@@]([H])(C)COC6([H])O[C@]([H])([C@@]([H])(C)CO)[C@@]([H])(OP(O)(O)=O)[C@]([H])(O)[C@]6([H])O)[C@@]([H])(O)[C@]([H])(OC6([H])O[C@]([H])(CO[C@@]7([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]7([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]7([H])OC7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O[C@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])NC(O)=N)[C@@]6([H])O)[C@]5([H])O)[C@]4([H])O)[C@]([H])(O[C@]4(O[C@]([H])([C@@]([H])(C)CO)[C@@]([H])(O)[C@]([H])(O[C@]5(O[C@]([H])([C@@]([H])(C)CO)[C@@]([H])(O)[C@]([H])(OP(O)(=O)OCCN)[C@]5([H])O)C(O)=O)[C@]4([H])O)C(O)=O)[C@]3([H])O)C(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OC(=O)C[C@@]([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@]2([H])N=C(O)C[C@@]([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@]([H])(OP(O)(O)=O)[C@]1([H])N=C(O)C[C@]([H])(O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C180H328N6O98P6/c1-13-19-25-31-37-43-44-50-56-62-68-74-116(201)255-105(72-66-60-54-48-41-35-29-23-17-5)82-118(203)264-149-121(185-114(199)81-104(71-65-59-53-47-40-34-28-22-16-4)254-115(200)73-67-61-55-49-42-36-30-24-18-6)164(249-93-110-126(208)148(263-117(202)80-103(197)70-64-58-52-46-39-33-27-21-15-3)120(166(260-110)283-287(239,240)241)184-113(198)79-102(196)69-63-57-51-45-38-32-26-20-14-2)262-112(147(149)279-285(233,234)235)95-251-178(174(226)227)163(225)160(278-179(175(228)229)161(223)154(136(218)142(274-179)96(7)83-187)277-180(176(230)231)162(224)155(281-288(242,243)252-77-75-181)137(219)143(275-180)97(8)84-188)158(146(276-178)100(11)87-191)273-171-140(222)152(159(145(267-171)99(10)86-190)282-290(246,247)284-289(244,245)253-78-76-182)270-170-139(221)151(135(217)141(265-170)101(12)92-248-168-134(216)132(214)153(280-286(236,237)238)144(266-168)98(9)85-189)268-169-138(220)150(127(209)111(261-169)94-250-167-133(215)129(211)123(205)107(89-193)257-167)269-172-157(131(213)125(207)108(90-194)258-172)272-173-156(130(212)124(206)109(91-195)259-173)271-165-119(186-177(183)232)128(210)122(204)106(88-192)256-165/h96-112,119-173,187-197,204-225H,13-95,181-182H2,1-12H3,(H,184,198)(H,185,199)(H,226,227)(H,228,229)(H,230,231)(H,242,243)(H,244,245)(H,246,247)(H3,183,186,232)(H2,233,234,235)(H2,236,237,238)(H2,239,240,241)/t96-,97-,98-,99-,100-,101-,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,119+,120+,121+,122+,123-,124+,125-,126+,127+,128+,129-,130-,131-,132+,133+,134-,135+,136+,137+,138+,139-,140-,141+,142+,143+,144+,145+,146+,147+,148+,149+,150-,151-,152+,153-,154-,155-,156+,157+,158+,159+,160-,161-,162-,163-,164+,165-,166+,167-,168?,169?,170?,171?,172+,173?,178+,179-,180-/m0/s1

> <INCHI_KEY>
CQMSKDRUAIEDAN-FCHZNYOBSA-N

> <FORMULA>
C180H328N6O98P6

> <MOLECULAR_WEIGHT>
4330.3543

> <EXACT_MASS>
4327.929256554

> <JCHEM_ACCEPTOR_COUNT>
92

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
52

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R,6R)-5-{[(3S,4R,5R,6R)-5-[({[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]-4-{[(3S,4S,5R,6R)-4-{[(3R,4S,5R,6R)-4-{[(2R,3R,4S,5R,6R)-3-{[(3R,4S,5S,6R)-3-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(C-hydroxycarbonimidoyl)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-6-[(2S)-1-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]-5-(phosphonooxy)oxan-2-yl]oxy}propan-2-yl]-3,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-4-{[(2S,3S,4S,5R,6R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxane-2-carboxylic acid

> <JCHEM_LOGP>
8.094592439000007

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
13

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-8

> <JCHEM_PKA>
0.8594146093177404

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.3845463923333967

> <JCHEM_POLAR_SURFACE_AREA>
1647.100000000001

> <JCHEM_REFRACTIVITY>
998.556600000004

> <JCHEM_ROTATABLE_BOND_COUNT>
145

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5R,6R)-5-{[(3S,4R,5R,6R)-5-({[2-aminoethoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)-4-{[(3S,4S,5R,6R)-4-{[(3R,4S,5R,6R)-4-{[(2R,3R,4S,5R,6R)-3-{[(3R,4S,5S,6R)-3-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(C-hydroxycarbonimidoylamino)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-6-[(2S)-1-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]-5-(phosphonooxy)oxan-2-yl]oxy}propan-2-yl]-3,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-4-{[(2S,3S,4S,5R,6R)-4-{[(2S,3S,4S,5R,6R)-4-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
