REMARK  Name = BDB005652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.472  -0.847   0.161  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.387   0.226   0.309  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.864   1.495   0.629  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -2.715   2.598   0.756  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -2.344   3.513   0.968  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.065   2.545   0.575  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -4.647   1.215   0.272  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -6.145   1.151   0.110  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.697  -0.279   0.150  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.797  -1.234  -0.625  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.445  -1.113  -0.115  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.772  -1.806  -0.447  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -4.757   3.555   0.665  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.495   1.704   0.819  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.402   0.645   0.676  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.869   0.121   0.152  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.098  -0.625   0.351  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.103  -3.191  -0.188  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.983  -2.074  -0.197  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        1.889   0.855   0.898  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.726   0.366  -0.222  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        2.513   1.238  -1.391  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        4.167   0.301   0.158  0.00  0.00    +0.061 C 
ATOM     24  C   LIG    1        4.457  -0.763   1.233  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        5.928  -0.726   1.655  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1        6.780  -0.144   0.671  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        6.442  -0.575  -0.640  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1        5.085  -0.012  -1.050  0.00  0.00    +0.047 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4