REMARK  Name = BDB052260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.622  -0.535   0.254  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        3.045  -1.699   0.855  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.452  -2.362   1.329  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.399  -1.827   0.682  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.764  -0.701  -0.048  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        6.117  -0.524  -0.400  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        7.046  -1.501   0.002  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.644  -2.621   0.734  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.305  -2.809   1.091  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.650   0.078  -0.306  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.448   0.855   0.110  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -0.469   1.381  -0.741  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        0.851   0.921  -0.680  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.228  -0.077   0.230  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.251  -0.595   1.090  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.069  -0.133   1.031  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  N   LIG    1       -3.881   0.304   0.124  0.00  0.00    -0.293 NA
ATOM     18  C   LIG    1       -2.871   1.376   0.045  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1       -3.192   2.300   1.233  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -4.421   1.689   1.890  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.054   0.877   0.777  0.00  0.00    +0.085 C 
BRANCH  17  23
ATOM     22  C   LIG    1       -4.901   0.339  -2.204  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -4.115  -0.423  -1.131  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -4.808  -1.758  -0.831  0.00  0.00    +0.024 C 
ENDBRANCH  17  23
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1        6.584   0.650  -1.174  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        7.763   0.789  -1.480  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.650   1.578  -1.534  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        5.941   2.393  -2.052  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        4.673   1.468  -1.271  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4