REMARK  Name = BDB053959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.052   1.986   0.762  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.843   0.972   0.199  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -2.240   1.155   0.062  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.789   2.362   0.498  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -4.142   2.311   0.260  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -4.789   3.055   0.479  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.494   1.112  -0.307  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.748   0.628  -0.711  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -7.101   1.287  -0.680  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -8.027   0.074  -0.848  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.251  -0.966  -1.671  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.844  -0.650  -1.279  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.708  -1.397  -1.437  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.501  -2.729  -2.002  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.363  -3.448  -2.465  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.170  -2.980  -1.902  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.734  -3.833  -2.214  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.485  -1.950  -1.331  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.291  -1.906  -1.118  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.468  -0.914  -1.028  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -2.025   3.389   1.062  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.316   0.357  -0.449  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -0.649   3.178   1.187  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        2.062   2.746   1.469  0.00  0.00    -0.292 OA
ATOM     25  C   LIG    1        1.428   1.840   0.928  0.00  0.00    +0.164 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.105   0.579   0.424  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.615   0.638   0.651  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.314  -0.619   0.166  0.00  0.00    +0.216 C 
ATOM     29  N   LIG    1        5.669  -0.716   0.442  0.00  0.00    -0.299 N 
ATOM     30  C   LIG    1        6.454   0.308   1.139  0.00  0.00    +0.123 C 
ATOM     31  C   LIG    1        7.969   0.131   0.935  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        8.492  -1.198   1.285  0.00  0.00    -0.313 NA
ATOM     33  H   LIG    1        8.764  -1.217   2.267  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        7.507  -2.270   1.050  0.00  0.00    +0.100 C 
ATOM     35  C   LIG    1        6.396  -1.924   0.044  0.00  0.00    +0.123 C 
ATOM     36  O   LIG    1        3.703  -1.498  -0.442  0.00  0.00    -0.276 OA
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4