REMARK  Name = BDB031255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.348  -0.633   0.470  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.948  -0.762   0.399  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.175   0.409   0.291  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.769   1.664   0.202  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.835   2.643   0.043  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -0.340   2.038   0.052  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1        3.165   1.785   0.270  0.00  0.00    +0.031 A 
ATOM      8  N   LIG    1       -0.191   0.655   0.169  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        3.946   0.631   0.412  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.214  -0.335   0.160  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.246  -0.262  -0.789  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.193  -1.259  -0.748  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.146  -2.297   0.179  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -4.237  -3.127  -0.050  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.483  -3.967   0.447  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -4.973  -2.616  -1.129  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -5.988  -3.088  -1.606  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -2.148  -2.397   1.117  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.311  -1.454  -1.552  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -4.624  -0.884  -2.321  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.166  -1.397   1.101  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   6  22
ATOM     22  C   LIG    1       -1.648   2.788   0.071  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -1.666   3.792   1.228  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -1.867   3.511  -1.259  0.00  0.00    +0.015 C 
ENDBRANCH   6  22
BRANCH   1  25
ATOM     25  C   LIG    1        4.147  -1.883   0.606  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1        3.646  -2.992   0.715  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1        6.307  -2.767   0.709  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        5.476  -1.611   0.588  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4