REMARK  Name = BDB000915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.505  -2.528  -1.307  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1        2.288  -2.908  -1.960  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        2.442  -4.041  -2.660  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        3.700  -4.417  -2.410  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        4.039  -5.275  -2.832  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        4.371  -3.556  -1.599  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.879  -2.189  -1.929  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1        0.542  -1.131  -1.127  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        1.116  -0.719  -0.413  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.760  -0.782  -1.377  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.173  -1.691  -2.339  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -2.485  -1.623  -2.826  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.341  -0.636  -2.316  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.911   0.269  -1.331  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -1.588   0.210  -0.849  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1       -0.159  -2.554  -2.661  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.861   1.337  -0.817  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.885   1.439   0.651  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -4.527   0.271   1.297  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -5.979   0.527   1.729  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -6.113   1.619   2.649  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -5.087   2.609   2.500  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -4.554   2.693   1.063  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  26
ATOM     24  O   LIG    1        6.037  -1.797  -0.032  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        5.027  -1.108   0.008  0.00  0.00    +0.248 C 
ATOM     26  N   LIG    1        3.797  -1.388  -0.566  0.00  0.00    -0.278 N 
ATOM     27  H   LIG    1        3.117  -0.647  -0.583  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     28  C   LIG    1        5.095   0.201   0.714  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        6.268   0.962   0.600  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        6.365   2.195   1.247  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.297   2.653   2.011  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1        5.391   3.835   2.633  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        4.135   1.899   2.148  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        4.031   0.665   1.502  0.00  0.00    +0.016 A 
ENDBRANCH  25  28
ENDBRANCH   1  26
TORSDOF 5