REMARK  Name = BDB039261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.692   1.256  -0.901  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.733   0.260  -0.838  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.345   0.681  -0.691  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.383  -0.428  -0.350  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.798  -1.778  -0.260  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.885  -2.790   0.074  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.534  -2.510   0.302  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.135  -1.175   0.192  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.079  -0.540   0.343  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.897   0.808   0.106  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.367   1.054  -0.175  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.252  -2.124  -0.466  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.019  -0.152  -0.126  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.963  -1.091  -1.335  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.463   2.442  -0.693  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.995   1.842   0.175  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -2.093   2.452   1.579  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -1.010   3.497   1.838  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1       -1.051   4.550   0.823  0.00  0.00    -0.316 NA
ATOM     20  H   LIG    1       -0.322   5.233   1.035  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -0.783   3.991  -0.504  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -1.825   2.940  -0.886  0.00  0.00    +0.026 C 
ENDBRANCH  10  16
BRANCH   1  24
ATOM     23  C   LIG    1        7.943   1.776  -1.286  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        6.926   0.776  -1.220  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1       -2.323  -1.200   0.698  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.082  -1.686  -0.535  0.00  0.00    +0.057 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.387  -2.335  -0.153  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -5.551  -1.565  -0.026  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.755  -2.162   0.352  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.804  -3.531   0.610  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.651  -4.304   0.490  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.447  -3.709   0.112  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 5