REMARK  Name = BDB056854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  0        1.600   1.254  -1.941  0.00  0.00    -0.067 C 
ATOM      2  C   UNK A  0        2.748   0.597  -2.199  0.00  0.00    +0.066 C 
ATOM      3  C   UNK A  0        1.278   1.938  -0.636  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   UNK A  0        3.826   0.347  -1.219  0.00  0.00    +0.237 C 
ATOM      5  N   ASP A  1        3.418  -0.275  -0.078  0.00  0.00    -0.298 N 
ATOM      6  H   ASP A  1        2.426  -0.487   0.030  0.00  0.00    +0.150 HD
ATOM      7  O   UNK A  0        4.985   0.674  -1.444  0.00  0.00    -0.271 OA
BRANCH   5   8
ATOM      8  CA  ASP A  1        4.296  -0.778   0.982  0.00  0.00    +0.193 C 
BRANCH   8   9
ATOM      9  C   ASP A  1        3.402  -1.160   2.175  0.00  0.00    +0.326 C 
ATOM     10  O   ASP A  1        2.186  -1.004   2.173  0.00  0.00    -0.249 OA
BRANCH   9  11
ATOM     11  OXT ASP A  1        4.034  -1.780   3.194  0.00  0.00    -0.479 OA
ATOM     12  HXT ASP A  1        4.997  -1.905   3.106  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  CB  ASP A  1        5.462   0.123   1.372  0.00  0.00    +0.154 C 
BRANCH  13  14
ATOM     14  CG  ASP A  1        5.028   1.520   1.702  0.00  0.00    +0.307 C 
ATOM     15  OD1 ASP A  1        4.627   1.845   2.809  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  OD2 ASP A  1        5.132   2.389   0.675  0.00  0.00    -0.481 OA
ATOM     17  HD2 ASP A  1        5.381   1.963  -0.182  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   5   8
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   UNK A  0        0.552   1.397  -3.031  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   UNK A  0       -0.426   0.215  -3.112  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     20  C   UNK A  0       -1.357  -0.816  -0.952  0.00  0.00    -0.076 C 
ATOM     21  C   UNK A  0       -1.351   0.116  -1.927  0.00  0.00    -0.028 C 
ATOM     22  C   UNK A  0       -0.364  -1.950  -0.863  0.00  0.00    +0.039 C 
BRANCH  20  23
ATOM     23  C   UNK A  0       -2.355  -0.831   0.202  0.00  0.00    +0.034 C 
BRANCH  23  24
ATOM     24  C   UNK A  0       -3.425   0.270   0.238  0.00  0.00    +0.031 C 
BRANCH  24  27
ATOM     25  C   UNK A  0       -6.355  -0.849   0.337  0.00  0.00    +0.038 C 
ATOM     26  C   UNK A  0       -5.573  -0.321   1.508  0.00  0.00    -0.080 C 
ATOM     27  C   UNK A  0       -4.307   0.139   1.452  0.00  0.00    -0.028 C 
ATOM     28  C   UNK A  0       -6.320  -0.351   2.816  0.00  0.00    +0.038 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13