REMARK  Name = BDB021149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.389   0.212   1.408  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.411  -0.348   0.630  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.668   0.229   0.691  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.908  -0.143   0.015  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        4.859   0.755   0.413  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        4.341   1.681   1.278  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        4.887   2.636   1.796  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        4.021  -1.094  -0.732  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.933   1.340   1.463  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.953   1.948   2.214  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.673   1.379   2.168  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        6.253   0.749  -0.010  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        6.897  -0.575   0.397  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        6.867  -1.002   1.550  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        7.483  -1.311  -0.603  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.893  -2.188  -0.308  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.221  -1.234  -1.946  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.595  -2.121  -2.708  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.410  -0.055  -2.424  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        6.487   1.124  -1.472  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.938  -0.233   1.371  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1       -1.431  -0.012   2.236  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.238  -1.588   0.885  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.745  -1.859   0.989  0.00  0.00    +0.126 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.856  -0.986   0.081  0.00  0.00    +0.401 C 
ATOM     26  N   LIG    1       -3.516  -0.865   0.274  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1       -3.123   0.060   0.149  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1       -5.511  -1.977   0.360  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -5.326   0.167  -0.446  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -7.598   0.227   0.506  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.735   0.318  -0.758  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.180  -0.684  -1.829  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.856   1.738  -1.333  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7