REMARK  Name = BDB018256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577  -1.421   0.270  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.579  -0.401   0.598  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1       -3.858  -0.529   0.208  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -4.287  -1.685  -0.610  0.00  0.00    +0.255 A 
ATOM      5  O   LIG    1       -5.461  -1.768  -0.960  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -3.294  -2.605  -0.923  0.00  0.00    -0.317 N 
ATOM      7  C   LIG    1       -3.634  -3.776  -1.716  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -1.989  -2.464  -0.480  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        1.988  -1.351   0.765  0.00  0.00    -0.264 N 
ATOM     10  N   LIG    1        1.631  -0.967   2.011  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        0.296  -0.938   1.965  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1       -0.213  -1.323   0.707  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        0.909  -1.599  -0.045  0.00  0.00    +0.117 A 
BRANCH   9  15
ATOM     14  C   LIG    1        4.337  -1.762   1.563  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        3.399  -1.484   0.383  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.857  -0.278  -0.424  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        3.766   1.025   0.093  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.196   2.121  -0.657  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.727   1.930  -1.930  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.830   0.643  -2.455  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.399  -0.455  -1.708  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  O   LIG    1       -2.129   0.657   1.380  0.00  0.00    -0.455 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.523   1.931   1.046  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1       -2.370   2.441  -0.246  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.759   3.752  -0.521  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.284   4.552   0.494  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.412   4.047   1.789  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.024   2.737   2.067  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5