REMARK  Name = BDB013712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.952  -0.387  -0.015  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -2.672   0.806  -0.534  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -4.061   0.796  -0.494  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.791   1.886  -0.990  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.125   2.994  -1.513  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.732   3.019  -1.531  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.761  -0.355   0.099  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -5.989  -0.380   0.093  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.957  -1.345   0.647  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -4.564  -2.517   1.248  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.004   1.931  -1.040  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -2.591  -1.373   0.549  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.575  -0.449  -0.145  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -0.188   0.011  -0.960  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        0.170  -1.645   0.251  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.697  -1.444   0.104  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.364  -0.748   1.220  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        1.860   0.601   1.456  0.00  0.00    +0.105 C 
BRANCH  17  19
ATOM     19  C   LIG    1        3.833  -0.781   1.102  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.471   0.013  -0.051  0.00  0.00    +0.174 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.546   0.564  -1.032  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        5.890  -0.157   0.003  0.00  0.00    -0.382 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 7