REMARK  Name = BDB012371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.198  -1.346   0.339  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.503  -1.570   0.808  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.508  -2.542   1.772  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.235  -2.883   1.933  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.619  -2.180   1.079  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.750  -0.951   0.427  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.885  -1.410   1.030  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.070  -0.856   0.703  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.202   0.161  -0.216  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.044   0.633  -0.828  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.800   0.075  -0.509  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.181   1.731  -1.813  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.226   2.257  -2.149  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.004   2.121  -2.329  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.245   2.840  -2.951  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.069  -0.461  -0.632  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.420  -0.381  -1.105  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -4.371  -0.906  -0.860  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.707   0.230  -0.130  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -2.317   0.474  -0.227  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -1.768   1.575   0.460  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.565   2.394   1.259  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -3.920   2.126   1.367  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -4.689   2.909   2.135  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -4.494   1.061   0.684  0.00  0.00    +0.042 A 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6