REMARK  Name = BDB048908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.983   0.779   0.343  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -2.000  -0.203   0.148  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.679   0.239   0.184  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -0.350   1.568   0.398  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1        1.003   1.748   0.393  0.00  0.00    -0.208 NA
ATOM      6  C   LIG    1        1.532   0.555   0.178  0.00  0.00    +0.141 A 
ATOM      7  N   LIG    1       -1.270   2.538   0.586  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1        0.531  -0.386   0.053  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        0.669  -1.373  -0.095  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.551   2.098   0.549  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -7.165  -0.229   0.305  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -6.350  -0.565  -0.774  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.988  -0.236  -0.758  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.412   0.435   0.333  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -5.245   0.767   1.412  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -6.604   0.436   1.396  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -9.124  -1.147  -0.677  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -8.502  -0.489   0.419  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1        2.967   0.256   0.097  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        3.466  -0.984  -0.305  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.851  -1.218  -0.363  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        5.800  -0.233  -0.037  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        5.274   1.001   0.377  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.892   1.245   0.436  0.00  0.00    +0.013 A 
BRANCH  22  25
ATOM     25  N   LIG    1        7.176  -0.488  -0.081  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1        8.110   0.619   0.117  0.00  0.00    +0.129 C 
ATOM     27  C   LIG    1        7.658  -1.571  -0.937  0.00  0.00    +0.129 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
TORSDOF 4