REMARK  Name = BDB004756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.471   0.319  -0.766  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1       -0.420   1.336  -0.782  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.583  -0.222  -0.041  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        1.947   0.404  -0.096  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        2.239   1.360  -0.995  0.00  0.00    -0.013 C 
ATOM      6  C   LIG    1        3.596   1.994  -1.055  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1        4.403   1.835   0.240  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        4.105   0.563   1.003  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1        2.941  -0.104   0.835  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        2.641  -1.265   1.504  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1        1.454  -1.773   1.404  0.00  0.00    +0.223 A 
ATOM     12  N   LIG    1        0.399  -1.272   0.703  0.00  0.00    -0.220 NA
BRANCH   8  13
ATOM     13  C   LIG    1        5.191   0.160   1.946  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        6.067   0.943   2.298  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        5.193  -1.126   2.374  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        4.369  -1.699   2.212  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.847  -1.389   3.095  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.877  -0.059  -0.566  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.135  -1.523  -0.890  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -1.850  -1.989  -2.187  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -2.085  -3.317  -2.529  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -1.807  -3.736  -3.771  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -2.607  -4.212  -1.606  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.893  -3.772  -0.317  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.660  -2.438   0.039  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.373   0.482   0.811  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.109   1.927   1.015  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1       -2.164   2.126   2.015  0.00  0.00    +0.122 HD
BRANCH  27  30
ATOM     29  C   LIG    1       -4.417   2.876   0.932  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.032   2.810   0.302  0.00  0.00    +0.077 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 7