REMARK  Name = BDB029634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.082   0.392  -0.101  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.907   0.002   0.709  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.380   0.564   0.066  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.652   0.044  -1.297  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.595  -0.384  -1.972  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.873   0.387  -1.565  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.725  -0.671   1.619  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.199  -1.548   0.724  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        4.007  -1.204   0.159  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        3.306  -0.015   0.433  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        3.899   0.839   1.378  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        5.117   0.520   1.976  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.818  -2.762   2.223  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.522  -2.279   1.830  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.000  -2.756   1.099  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.038  -1.053   2.234  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.612  -0.310   3.021  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
BRANCH   9  18
ATOM     18  C   LIG    1        3.496  -2.210  -0.732  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        3.083  -3.011  -1.468  0.00  0.00    -0.189 NA
ENDBRANCH   9  18
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -1.403   1.013  -2.110  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.791   1.279  -1.581  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.705   0.237  -1.374  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.974   0.537  -0.897  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -5.298   1.869  -0.646  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.631   2.186  -0.145  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -7.534   1.215   0.075  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -7.181  -0.217  -0.194  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1       -7.983  -1.126  -0.002  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -8.915   1.475   0.588  0.00  0.00    +0.049 C 
ATOM     30  N   LIG    1       -4.448   2.899  -0.840  0.00  0.00    -0.253 NA
ATOM     31  N   LIG    1       -5.919  -0.469  -0.666  0.00  0.00    -0.321 N 
ATOM     32  H   LIG    1       -5.694  -1.438  -0.842  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.217   2.578  -1.305  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5