REMARK  Name = BDB005648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735   0.386   0.056  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.132  -0.926   0.415  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.171  -1.761   1.018  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -0.495  -3.078   1.364  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.195  -3.686   1.782  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.715  -3.645   1.145  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -2.758  -2.779   0.544  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.117  -3.396   0.337  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.213  -2.363   0.050  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.709  -1.278  -0.895  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.497  -0.708  -0.340  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.138   0.130  -0.801  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -1.930  -4.817   1.439  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.131  -1.321   1.279  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.517  -0.026   0.930  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.495  -1.500   0.205  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.575   0.817   0.320  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -1.665   1.179  -0.576  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.356   2.560  -0.766  0.00  0.00    +0.229 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.378   4.718  -1.579  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -2.600   3.236  -1.335  0.00  0.00    +0.038 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  15  22
ATOM     22  C   LIG    1        2.920   0.467   1.218  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.597   1.011   0.029  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1        3.919  -0.026  -0.978  0.00  0.00    +0.113 C 
ATOM     25  C   LIG    1        5.086  -0.947  -0.584  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1        6.264  -0.194  -0.270  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.004   0.752   0.772  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1        4.854   1.701   0.396  0.00  0.00    +0.113 C 
ENDBRANCH  22  23
ENDBRANCH  15  22
TORSDOF 5