REMARK  Name = BDB036275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.333  -1.061  -0.022  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.905   0.299  -0.048  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.576   0.532  -0.347  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.381   1.893  -0.298  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.611   2.424   0.022  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1       -0.345  -0.501  -0.618  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.058  -1.742  -0.575  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.546   1.431   0.173  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        1.385  -1.986  -0.288  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.877  -3.298  -0.045  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.676  -2.481   0.246  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.668  -1.644   1.285  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.450  -1.057   1.241  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.131  -0.110   2.286  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.664  -1.521   0.208  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.451  -2.450  -0.450  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.894   3.951   0.202  0.00  0.00    +0.268 A 
ATOM     18  O   LIG    1        0.934   4.928   0.044  0.00  0.00    -0.422 OA
ATOM     19  C   LIG    1        1.644   6.058   0.302  0.00  0.00    +0.332 A 
ATOM     20  N   LIG    1        2.902   5.834   0.593  0.00  0.00    -0.116 NA
ATOM     21  N   LIG    1        3.066   4.465   0.528  0.00  0.00    -0.106 NA
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.649  -0.165  -0.912  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.811   0.762  -1.289  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.576  -1.154  -1.435  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.968  -0.591  -1.411  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.682  -0.427  -0.227  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.279  -0.692   1.175  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.645  -0.566   1.851  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.511   0.240   1.018  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.955   0.129  -0.229  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.574   0.546  -1.390  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.881   0.386  -2.590  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.596  -0.175  -2.591  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.953  -0.292  -3.761  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5