Mrv0541 02251204172D          

 56 55  0  0  1  0            999 V2000
   -8.7363    9.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9167    9.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4250   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6054    9.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1137   10.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2942   10.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8024   11.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   11.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4911   11.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716   11.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1799   12.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   12.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   12.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   13.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623   13.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   13.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736   13.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   14.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849   14.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127   13.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766   15.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961   15.0182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6879   15.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074   15.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9992   16.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8187   16.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104   16.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9826   17.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   18.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1465   18.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6383   19.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104   20.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8022   21.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   21.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9661   22.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6383   23.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300   23.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8022   24.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939   25.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9661   26.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4578   26.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300   27.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240   14.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322   13.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3600   12.8416    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   13.1694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6030   12.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6879   12.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961   11.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240   10.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322   10.0026    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3698   10.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    9.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5405    9.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683   15.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  4  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 23 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
 23 56  1  1  0  0  0
M  CHG  2  47  -1  52   1
M  END