REMARK  Name = BDB046850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.702  -0.502   0.633  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.419   0.207  -0.698  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1       -2.010  -1.245  -0.618  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -0.608  -1.489  -1.208  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.406  -0.489  -0.814  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -0.052   0.852  -1.241  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1       -1.503   1.151  -0.988  0.00  0.00    -0.008 C 
BRANCH   2  10
ATOM      8  C   LIG    1       -5.894   0.249   0.833  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.548  -0.053   0.597  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -3.836   0.549  -0.450  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -4.512   1.461  -1.272  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.856   1.766  -1.044  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.546   1.163   0.007  0.00  0.00    +0.045 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.812  -0.133   2.186  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.449  -0.414   1.894  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.382  -1.791   1.126  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.548  -2.302   0.274  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.606  -1.254   0.027  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        3.340  -0.376  -0.988  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.423  -0.396  -1.428  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.140   0.695  -1.287  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        3.818   1.551  -2.103  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.404   0.764  -0.534  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.616  -0.201   0.456  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.805  -0.153   1.187  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.758   0.838   0.933  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.529   1.796  -0.057  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.347   1.762  -0.795  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.679  -1.208   0.747  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6