REMARK  Name = BDB037080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.709  -0.026   0.254  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.644   0.407   0.998  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.646   1.022   2.047  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.436  -0.020   0.295  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.840  -0.661  -0.872  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.059  -1.180  -1.783  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -1.390  -1.027  -1.444  0.00  0.00    +0.125 A 
ATOM      8  O   LIG    1       -2.426  -1.469  -2.225  0.00  0.00    -0.491 OA
ATOM      9  C   LIG    1       -3.572  -1.397  -1.342  0.00  0.00    +0.240 C 
ATOM     10  C   LIG    1       -3.311  -0.317  -0.264  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -3.799   1.074  -0.712  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.322   1.197  -0.650  0.00  0.00    +0.082 C 
ATOM     13  N   LIG    1       -5.838   0.829   0.666  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -6.854   0.922   0.671  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.466  -0.531   1.044  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.948  -0.688   1.083  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -1.813  -0.375  -0.274  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.896   0.150   0.629  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.301  -0.634  -0.902  0.00  0.00    +0.255 C 
ATOM     20  O   LIG    1        2.973  -1.068  -1.818  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        8.043   1.175  -0.259  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        6.870   0.904  -0.019  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        5.854   1.730  -0.434  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.132   2.525  -0.993  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.498   1.533  -0.300  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        3.702   2.322  -0.807  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.083   0.338   0.565  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1        5.086  -0.801   0.405  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.471  -0.306   0.794  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1