REMARK  Name = BDB055503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.465   1.359  -1.321  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1        0.092   0.036  -1.059  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.204  -0.274  -0.632  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.148   0.739  -0.465  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.782   2.060  -0.730  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.488   2.371  -1.155  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.869   1.695  -1.778  0.00  0.00    +0.073 C 
BRANCH   7   8
ATOM      8  CA  LIG    1        2.966   1.625  -0.698  0.00  0.00    +0.217 C 
BRANCH   8  10
ATOM      9  C   LIG    1        4.319  -0.161   0.178  0.00  0.00    +0.018 C 
ATOM     10  N   LIG    1        3.188   0.212  -0.320  0.00  0.00    -0.277 NA
ATOM     11  C   LIG    1        5.516   0.734   0.397  0.00  0.00    +0.061 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.461  -1.620   0.552  0.00  0.00    +0.124 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.284  -3.897  -0.286  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        5.380  -2.396  -0.359  0.00  0.00    +0.136 C 
ATOM     15  O   LIG    1        6.199  -1.849  -1.097  0.00  0.00    -0.297 OA
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   8  10
BRANCH   8  16
ATOM     16  C   LIG    1        2.606   2.460   0.531  0.00  0.00    +0.330 C 
ATOM     17  O   LIG    1        2.642   2.115   1.703  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  OXT LIG    1        2.312   3.744   0.228  0.00  0.00    -0.479 OA
ATOM     19  HXT LIG    1        2.107   4.138   1.103  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   8  16
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1       -3.442   0.578  -0.055  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.863  -0.747   0.256  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.303  -0.692   0.700  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -5.624  -0.475   2.048  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -6.957  -0.410   2.457  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.981  -0.553   1.523  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.675  -0.753   0.178  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.342  -0.818  -0.233  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10