REMARK  Name = BDB063853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.803  -0.924  -1.780  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.520  -0.582  -1.611  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.511  -0.776  -2.687  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.659  -1.221  -3.807  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.627  -0.329  -2.100  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.512  -0.325  -2.569  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.347   0.077  -0.842  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.902  -0.046  -0.501  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.688   0.062   2.740  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        7.194  -0.767   1.671  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1        6.030  -0.574   0.970  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        6.007  -1.628   0.061  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1        4.933  -1.742  -0.837  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.892  -0.798  -0.796  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        3.959   0.258   0.125  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1        7.116  -2.428   0.205  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        5.021   0.391   1.031  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        7.808  -1.883   1.180  0.00  0.00    +0.200 A 
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.271   0.578   0.014  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.872   0.731   0.937  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.724   0.572  -0.040  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.282  -0.857  -0.219  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.821  -0.834  -0.223  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -5.323  -0.276   1.119  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.794   1.153   1.324  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.293   2.049   0.179  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.788   1.508  -1.168  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -5.311   0.074  -1.366  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.257   1.126   1.311  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.249   1.492  -1.164  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3