REMARK  Name = BDB049252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.469  -0.652  -0.044  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.032  -0.283   1.264  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        0.307  -0.461   1.546  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.488  -0.120   2.866  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1       -0.743   0.303   3.305  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        1.229  -0.940   0.599  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.821  -1.287  -0.592  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.675   0.210   2.307  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -0.518  -1.122  -0.882  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.512  -0.255  -1.443  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.898   0.793  -0.761  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.583   0.657  -0.307  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.863  -0.524  -0.534  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.502  -1.577  -1.210  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.816  -1.441  -1.665  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1        2.563  -1.072   0.919  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        3.009  -1.618   0.183  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.382   0.123   1.139  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.910   0.757  -0.103  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        5.261   0.945  -0.166  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        5.526   1.527  -1.363  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        4.365   1.717  -2.074  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        3.318   1.220  -1.261  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4