REMARK  Name = BDB048818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.009   0.050  -0.871  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -0.606  -0.188  -1.147  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        0.024  -0.711   0.055  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.008  -0.759   1.006  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.753  -1.208   2.291  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.553  -1.598   2.607  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.586  -1.553   1.651  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.319  -1.098   0.358  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.284  -0.296   0.410  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.607  -0.247   1.039  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1       -4.627  -1.112   0.620  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -5.894  -1.067   1.218  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -6.992  -1.967   0.734  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -6.137  -0.131   2.230  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.123   0.728   2.656  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.861   0.669   2.065  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  17
ATOM     17  N   LIG    1        0.100   0.141  -2.350  0.00  0.00    -0.181 N 
ATOM     18  O   LIG    1        1.221  -0.672  -2.709  0.00  0.00    -0.173 OA
ATOM     19  C   LIG    1       -0.213   1.322  -3.150  0.00  0.00    +0.191 C 
ENDBRANCH   2  17
BRANCH   1  20
ATOM     20  C   LIG    1       -2.985   0.523  -1.865  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1       -3.091   0.041  -2.982  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.661   1.592  -1.379  0.00  0.00    -0.462 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -5.979   1.419  -2.049  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -4.662   2.146  -2.243  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  O   LIG    1        2.804  -1.965   2.120  0.00  0.00    -0.492 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.852  -2.195   1.175  0.00  0.00    +0.229 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.681  -0.930   0.970  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.811  -1.168  -0.030  0.00  0.00    +0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.603   0.090  -0.284  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        6.253   0.948  -1.335  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        6.976   2.120  -1.561  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.050   2.448  -0.736  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.402   1.605   0.317  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.681   0.431   0.544  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 10