REMARK  Name = BDB057594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.547  -1.879   0.511  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.751  -2.190   0.870  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        0.900  -3.549   0.447  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        2.052  -4.470   0.628  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.195  -4.010  -0.175  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1       -1.053  -2.977  -0.115  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1       -1.984  -3.063  -0.504  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        1.648  -1.268   1.549  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        2.989  -1.564   1.453  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.278  -2.213   0.737  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.230  -0.270   2.132  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.999  -0.658   1.948  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.571   0.170   0.826  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        5.759  -0.209   0.187  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        6.274   0.550  -0.871  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.605   1.693  -1.307  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.417   2.068  -0.678  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.900   1.314   0.378  0.00  0.00    +0.009 A 
BRANCH  16  19
ATOM     19  O   LIG    1        5.998   2.519  -2.324  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1        7.199   2.175  -3.003  0.00  0.00    +0.277 C 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  21
ATOM     21  N   LIG    1       -1.291  -0.762   0.677  0.00  0.00    -0.221 N 
ATOM     22  H   LIG    1       -0.871  -0.001   1.224  0.00  0.00    +0.176 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -3.165   0.446   0.531  0.00  0.00    +0.138 C 
ATOM     24  N   LIG    1       -2.579  -0.677   0.255  0.00  0.00    -0.189 NA
BRANCH  23  28
ATOM     25  C   LIG    1       -7.218   1.277  -0.553  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1       -6.643   0.045  -0.881  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.320  -0.240  -0.534  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.565   0.714   0.149  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1       -5.130   1.948   0.481  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -6.457   2.227   0.130  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -9.152   2.657  -0.644  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -8.517   1.423  -0.953  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 8