REMARK  Name = BDB032955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467   0.087  -0.560  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.219   0.179  -0.074  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -0.734   0.729  -0.870  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.455   1.183  -2.141  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.847   1.047  -2.548  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        1.813   0.506  -1.784  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.150   0.816  -0.309  0.00  0.00    +0.103 C 
ATOM      8  N   LIG    1       -2.139   1.346   1.070  0.00  0.00    -0.308 NA
ATOM      9  H   LIG    1       -1.216   1.153   1.468  0.00  0.00    +0.123 HD
ATOM     10  C   LIG    1       -3.156   0.765   1.946  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1       -4.468   0.506   1.217  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -4.288  -0.487   0.070  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -2.843  -0.549  -0.426  0.00  0.00    +0.025 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.394  -0.487   0.303  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.931  -0.732   1.166  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        6.418  -1.339   0.084  0.00  0.00    +0.221 A 
ATOM     17  N   LIG    1        5.875  -0.759  -0.993  0.00  0.00    -0.242 NA
ATOM     18  C   LIG    1        4.550  -0.483  -0.909  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        3.753  -0.756   0.189  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        4.453  -1.357   1.226  0.00  0.00    +0.137 A 
ATOM     21  N   LIG    1        5.770  -1.660   1.211  0.00  0.00    -0.242 NA
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 3