REMARK  Name = BDB039325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.084   0.142  -0.366  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -4.318   1.144   0.213  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.664   2.255   0.563  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.959   0.610   0.355  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.970  -0.717  -0.065  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.806  -1.468  -0.032  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.619  -0.860   0.418  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.643   0.483   0.863  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.822   1.234   0.828  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.349  -1.112  -0.469  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1      -10.400   1.418   0.322  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -9.230   1.121   0.095  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -8.471   0.470   1.035  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.923   0.286   1.920  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -7.208  -0.055   0.886  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.719  -0.755   1.772  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -6.538   0.179  -0.477  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -7.072   1.456  -1.126  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -8.585   1.364  -1.249  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        0.610  -1.659   0.464  0.00  0.00    +0.145 A 
ATOM     21  N   LIG    1        1.847  -1.270  -0.042  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1        2.734  -2.299   0.249  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        4.096  -2.147  -0.130  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        4.494  -1.032  -0.782  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.523   0.015  -1.114  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        1.986  -3.272   0.862  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        2.240  -0.126  -0.739  0.00  0.00    +0.093 A 
ATOM     28  N   LIG    1        0.677  -2.883   0.968  0.00  0.00    -0.235 NA
BRANCH  24  29
ATOM     29  C   LIG    1        5.927  -0.819  -1.226  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1        6.534   0.392  -0.666  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1        6.747   0.314   0.782  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1        7.724   1.449   1.051  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        8.438   1.686  -0.275  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        7.863   0.647  -1.224  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH   7  20
TORSDOF 4