REMARK  Name = BDB063091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.788   0.793   0.606  0.00  0.00    -0.341 N 
ATOM      2  C   LIG    1       -2.070   0.925   0.160  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -2.564   2.160   0.597  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -3.854   2.562   0.212  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1       -4.653   1.806  -0.574  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -4.141   0.622  -0.933  0.00  0.00    +0.141 A 
ATOM      7  N   LIG    1       -4.796  -0.296  -1.697  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1       -5.727  -0.158  -2.066  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -4.012  -1.410  -1.839  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1       -2.818  -1.204  -1.159  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -1.564   2.752   1.397  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.892   0.120  -0.603  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -0.495   1.892   1.403  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        0.448  -0.850   2.788  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        0.445  -1.314   1.326  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        0.244  -0.187   0.273  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1        1.600   0.453  -0.106  0.00  0.00    +0.133 C 
ATOM     18  N   LIG    1        2.558  -0.524  -0.642  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1        3.657  -0.195  -1.440  0.00  0.00    +0.229 C 
ATOM     20  O   LIG    1        4.367  -1.065  -1.944  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1        2.300  -1.937  -0.349  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        1.741  -2.117   1.059  0.00  0.00    +0.024 C 
BRANCH  19  23
ATOM     23  C   LIG    1        3.916   1.281  -1.667  0.00  0.00    +0.214 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.259   1.536  -2.195  0.00  0.00    +0.072 C 
ATOM     25  N   LIG    1        6.311   1.815  -2.599  0.00  0.00    -0.196 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   1  16
BRANCH  10  26
ATOM     26  C   LIG    1       -1.843  -2.242  -1.107  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -1.071  -3.109  -1.093  0.00  0.00    -0.191 NA
ENDBRANCH  10  26
TORSDOF 4