REMARK  Name = BDB004574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.061   0.968  -0.896  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.762   0.509  -1.201  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.729   0.829  -0.298  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.434   0.375  -0.628  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.197  -0.365  -1.720  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.238  -0.624  -2.508  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.016   1.565   0.880  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.302   2.004   1.163  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.497  -0.217  -2.310  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.322   1.709   0.273  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.068   0.012  -2.927  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.153  -0.349  -3.179  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.867  -0.185  -3.511  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.250   0.709  -1.770  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.369   1.109  -1.468  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.639   0.663   0.234  0.00  0.00    -0.319 N 
ATOM     17  H   LIG    1       -0.671   1.667   0.414  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.967   0.190  -0.161  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1       -3.049   1.236   0.273  0.00  0.00    +0.143 C 
ATOM     20  C   LIG    1       -4.303   0.441   0.673  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -3.705  -0.857   1.125  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -4.319  -1.854   1.867  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.592  -3.011   2.153  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.277  -3.162   1.688  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.671  -2.157   0.931  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -2.391  -1.002   0.660  0.00  0.00    -0.022 A 
BRANCH  19  27
ATOM     27  O   LIG    1       -2.589   2.020   1.396  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -2.262   1.375   2.055  0.00  0.00    +0.210 HD
ENDBRANCH  19  27
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4