REMARK  Name = BDB012965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.922   0.000   2.058  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.060   0.067   1.087  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.460   0.159   1.474  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.223   0.335   0.159  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.343  -0.433  -0.829  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.066  -0.106  -0.352  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.607  -0.047   3.248  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.394   0.032   0.863  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.522  -0.402   2.121  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.267  -0.399   2.594  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.104  -0.665   3.561  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.314  -0.031   1.679  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.035   0.286   0.545  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.808   1.659  -0.417  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.607   0.199  -0.006  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.543  -0.702  -1.241  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.583  -0.155   0.195  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1       -3.834  -0.921   0.813  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.497   0.182  -0.778  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -4.278   0.982  -1.680  0.00  0.00    -0.272 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.807  -0.531  -0.652  0.00  0.00    +0.187 C 
ATOM     22  C   LIG    1       -6.625  -0.855  -1.876  0.00  0.00    +0.053 C 
ATOM     23  C   LIG    1       -7.099   0.199  -0.916  0.00  0.00    +0.053 C 
ATOM     24  F   LIG    1       -5.877  -1.490   0.363  0.00  0.00    -0.232 F 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4