REMARK  Name = BDB054102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.484   0.040   0.655  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.138   0.198   0.391  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.898   0.749  -0.425  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.934  -0.864   1.358  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.164  -0.796   0.831  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.262  -0.209   0.868  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.247  -1.161   1.391  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.023  -2.556   1.002  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.150  -2.709  -0.241  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -0.217  -2.047  -0.064  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.637  -0.705   1.267  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.221  -0.682  -0.157  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.659  -0.220  -0.159  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.703  -1.141  -0.006  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        8.036  -0.714   0.012  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        8.340   0.640  -0.119  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        7.301   1.561  -0.267  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        5.970   1.138  -0.285  0.00  0.00    +0.007 A 
BRANCH  16  19
ATOM     19  O   LIG    1        9.593   1.188  -0.117  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1       10.687   0.291   0.029  0.00  0.00    +0.277 C 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1       -3.397   1.112   0.011  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.653  -0.226  -1.633  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -4.606   0.398  -0.396  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -5.092  -0.086   0.351  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -3.795  -0.035  -2.493  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -5.853  -1.186  -1.812  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -5.522  -2.218  -2.893  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -7.691   0.294  -1.140  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -7.076  -0.460  -2.222  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -7.754  -1.131  -2.580  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -3.693   2.318   0.954  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -2.384   3.034   1.342  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.580   3.338   0.207  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.420   1.897   2.245  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 10