REMARK  Name = BDB048387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.545   0.049   0.646  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.940   0.243   0.456  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.751   0.431  -0.776  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -4.194   0.430  -0.461  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.616   1.032   0.826  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.907   0.408   2.048  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -5.045   0.280  -1.550  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.627   0.073  -2.690  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -6.527   0.369  -1.291  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.475   0.248   1.723  0.00  0.00    +0.044 A 
ATOM     11  N   LIG    1       -1.444   0.056   2.579  0.00  0.00    -0.279 N 
ATOM     12  H   LIG    1       -1.457  -0.009   3.592  0.00  0.00    +0.189 HD
ATOM     13  N   LIG    1       -0.264  -0.053   1.952  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.319  -0.011  -0.399  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1       -0.077   0.045  -1.329  0.00  0.00    +0.154 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.530  -0.496  -0.692  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        3.926  -0.442   0.567  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.538  -0.282   0.680  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.721  -0.175  -0.451  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        2.344  -0.231  -1.710  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.729  -0.390  -1.833  0.00  0.00    +0.017 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.998  -0.664  -0.873  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        6.541  -0.709  -1.966  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.038  -0.920   0.233  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.623  -0.756   0.328  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4