REMARK  Name = BDB051714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.536  -3.101  -0.837  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.445  -2.026  -0.515  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.145  -0.721  -0.265  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.865  -0.037  -0.254  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -0.854   1.280   0.178  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.091   1.952   0.719  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.425   1.389   0.164  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.384   1.867   0.161  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.494   1.234  -0.263  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.370  -0.036  -0.677  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        0.215  -0.711  -0.678  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.355  -0.088  -0.041  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.346  -1.102  -0.163  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.766  -2.287  -0.435  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.807  -0.987  -0.036  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.623  -1.627  -0.693  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.250  -0.121   0.934  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.237  -0.210   1.137  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.639   0.083   1.712  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.460  -0.746  -1.133  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        2.193  -1.724  -1.131  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.808  -0.471  -0.668  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        4.376   0.883  -1.119  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        4.822   1.585   0.161  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.103   0.451   1.134  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.982  -0.538   0.852  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 3