REMARK  Name = BDB056746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.478  -2.172   1.088  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.313  -1.143   0.092  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1        0.303  -0.221   0.076  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.555   0.560  -1.044  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -0.326   1.611  -1.320  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.398   1.789  -0.442  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -1.546   0.918   0.641  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1        1.682   0.132  -1.695  0.00  0.00    -0.227 NA
ATOM      9  N   LIG    1       -0.708  -0.099   0.957  0.00  0.00    -0.193 NA
ATOM     10  C   LIG    1        2.135  -0.892  -0.988  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -2.584   1.119   1.533  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.857   0.942   1.031  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -4.200  -0.123   0.191  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -5.513  -0.214  -0.242  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1       -6.126  -1.268  -1.109  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -7.434  -0.584  -1.530  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.822   0.366  -0.387  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -6.477   0.713   0.171  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1       -6.153   1.749   1.030  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.829   1.860   1.463  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1        3.365  -1.681  -1.302  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.244  -1.657  -0.172  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.155  -0.640  -0.084  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        6.160  -0.845   0.865  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        7.149   0.127   1.063  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        7.152   1.295   0.298  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        6.141   1.506  -0.637  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.140   0.545  -0.822  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        8.226  -0.071   2.056  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        9.390   0.218   1.845  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.774  -0.562   3.230  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        6.802  -0.582   3.312  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7