REMARK  Name = BDB031261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.832   0.508   0.939  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.056  -0.463   0.305  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -2.485  -1.545  -0.643  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -1.227  -2.408  -0.728  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -0.121  -1.581  -0.239  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        1.183  -2.018  -0.393  0.00  0.00    +0.251 C 
ATOM      7  O   LIG    1        1.463  -3.161  -0.757  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.666  -0.516   0.503  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.040   0.356   1.380  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.810   1.321   2.034  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.191   1.398   1.814  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.310  -1.081  -0.208  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        2.325   0.144  -0.894  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.428   0.937  -0.692  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        4.488   0.550   0.128  0.00  0.00    +0.067 A 
ATOM     16  N   LIG    1        5.433   1.569   0.114  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        6.317   1.593   0.596  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        4.973   2.601  -0.717  0.00  0.00    +0.325 A 
ATOM     19  O   LIG    1        5.545   3.647  -0.963  0.00  0.00    -0.247 OA
ATOM     20  C   LIG    1        4.509  -0.657   0.787  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1        3.724   2.193  -1.209  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        3.166   2.746  -1.839  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        3.398  -1.488   0.605  0.00  0.00    +0.015 A 
ENDBRANCH   6  12
BRANCH   1  24
ATOM     24  C   LIG    1       -4.302   0.657   0.774  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -5.010   1.230   1.588  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -6.119   0.266  -0.638  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -4.718   0.124  -0.399  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 3