REMARK  Name = BDB029390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.380  -0.750   0.905  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.232  -0.584   0.528  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        4.147  -0.268   1.337  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        4.224  -0.149   2.336  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        2.984  -0.148   0.594  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.259  -0.382  -0.749  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.253  -0.319  -1.692  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.955  -0.014  -1.254  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.684   0.222   0.107  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        1.719   0.153   1.048  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        4.719  -0.681  -0.914  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  O   LIG    1       -0.535   0.525   0.648  0.00  0.00    -0.489 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -1.684   0.639  -0.204  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1       -2.266  -0.754  -0.482  0.00  0.00    +0.059 C 
ATOM     15  C   LIG    1       -3.779  -0.697  -0.645  0.00  0.00    +0.084 C 
ATOM     16  N   LIG    1       -4.452  -0.226   0.565  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -5.356   0.178   0.318  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.668   0.722   1.357  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.697   1.542   0.516  0.00  0.00    +0.059 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2