REMARK  Name = BDB049352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.204  -0.044   0.084  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.427   1.121   0.172  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.048   1.002   0.400  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.101   1.984   0.515  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.045   1.366   0.719  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1        0.140  -0.001   0.749  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.477  -0.258   0.535  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.226  -1.437   0.445  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.602  -1.302   0.217  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.033  -1.316  -2.346  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.441  -0.497  -1.182  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.629   0.050  -0.153  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.522   0.722   0.654  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.412   1.506   1.899  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.775   0.589   0.141  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.730  -0.178  -1.007  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.881  -1.014   0.961  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.581  -1.400  -0.349  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.752  -2.273  -0.146  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.368  -3.632   0.298  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -3.592  -4.558   0.409  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -4.287  -4.648  -0.840  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -4.719  -3.345  -1.253  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -3.523  -2.393  -1.407  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -1.361   2.062   0.865  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.792   2.695  -0.461  0.00  0.00    +0.044 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.169   3.293  -0.369  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1       -4.303   2.528  -0.625  0.00  0.00    +0.114 A 
ATOM     29  N   LIG    1       -5.569   2.994  -0.537  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -5.713   4.287  -0.176  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -4.653   5.131   0.105  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -3.361   4.623   0.009  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7