REMARK  Name = BDB051715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.302   0.048  -1.082  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        2.677  -0.123   0.184  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        3.211  -0.283   1.567  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.211  -1.047   2.472  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.762  -0.710   2.217  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.313  -0.306   0.968  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.968  -0.051   0.662  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -1.851  -0.215   1.656  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -1.528  -0.626   2.893  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.229  -0.869   3.150  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        1.317  -0.125  -0.065  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        1.185   0.028  -1.413  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -0.031   0.077  -2.188  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        2.370   0.130  -2.051  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        6.864   1.145  -0.696  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        5.482   0.829  -0.442  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        4.964   1.433   0.182  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        4.742   0.142  -1.393  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        5.249  -0.323  -2.410  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1       -3.203   0.023   1.461  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -3.668  -0.451   2.228  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.719  -0.258   0.137  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -5.211  -0.584   0.201  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -5.713  -0.328  -1.215  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.748   0.687  -1.826  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.715   0.988  -0.745  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3