REMARK  Name = BDB031234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.253   0.840  -0.920  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -5.117   0.410  -0.832  0.00  0.00    +0.326 A 
ATOM      3  N   LIG    1       -4.340   0.325   0.327  0.00  0.00    -0.291 N 
ATOM      4  H   LIG    1       -4.623   0.608   1.248  0.00  0.00    +0.172 HD
ATOM      5  C   LIG    1       -3.108  -0.222   0.006  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -3.109  -0.480  -1.359  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1       -2.011  -1.030  -1.966  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -0.924  -1.300  -1.130  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.996  -1.000   0.249  0.00  0.00    +0.044 A 
ATOM     10  N   LIG    1       -2.097  -0.461   0.842  0.00  0.00    -0.232 NA
ATOM     11  N   LIG    1       -4.337  -0.095  -1.882  0.00  0.00    -0.305 N 
ATOM     12  H   LIG    1       -4.649  -0.156  -2.837  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.179  -1.313   1.145  0.00  0.00    +0.056 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.638  -0.128   2.005  0.00  0.00    +0.011 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.077   1.111   1.214  0.00  0.00    +0.035 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.213   0.863   0.252  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        3.476   0.471   0.718  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        4.520   0.236  -0.177  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.316   0.397  -1.546  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.069   0.796  -2.021  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.023   1.031  -1.127  0.00  0.00    +0.003 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 4