REMARK  Name = BDB036861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.300   0.251   2.890  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.331   0.199   1.803  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.054   0.702   2.059  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.649   1.028   3.171  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.793  -0.258   0.474  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -3.619   0.820  -0.253  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.562   2.022   0.000  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.411   0.369  -1.285  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.942   1.079  -1.772  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.707  -0.929  -1.615  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.517  -1.188  -2.501  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.952  -2.005  -0.872  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.602  -1.556   0.538  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -0.105   0.831   0.940  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        0.897  -0.128   0.787  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        1.800   0.001  -0.265  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        1.686   1.061  -1.172  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        0.691   2.026  -0.998  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -0.204   1.918   0.066  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  O   LIG    1        2.745  -0.990  -0.406  0.00  0.00    -0.456 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.050  -0.591  -0.590  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1        4.784  -1.259  -1.571  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        6.121  -0.926  -1.786  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.727   0.063  -1.011  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.999   0.715  -0.015  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.661   0.383   0.204  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 4