REMARK  Name = BDB036800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.491   0.467  -0.127  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -2.409   1.371  -0.585  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -1.372  -0.332  -0.043  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.431  -1.540   0.158  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -7.794  -0.012   1.023  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -6.627  -0.102   0.654  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -6.143   0.695  -0.352  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -6.789   1.399  -0.683  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -4.819   0.934  -0.624  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -4.468   1.928  -1.258  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -3.827  -0.113  -0.106  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -4.249  -0.545   1.294  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -5.663  -1.102   1.249  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -0.058   0.337  -0.248  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        1.019  -0.439  -0.694  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.269   0.149  -0.883  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        2.447   1.516  -0.658  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        1.380   2.289  -0.200  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        0.130   1.702   0.012  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  O   LIG    1        3.274  -0.660  -1.364  0.00  0.00    -0.456 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.501  -0.572  -0.746  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1        5.622  -0.480  -1.571  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        6.896  -0.419  -1.008  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.048  -0.467   0.379  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.928  -0.584   1.202  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.652  -0.644   0.641  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 4