REMARK  Name = BDB013227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.548   0.508  -0.537  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.846  -0.049  -1.648  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.474  -0.012  -1.614  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.060  -0.537  -2.803  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.103  -0.927  -3.501  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.251   0.515  -0.542  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.382   1.052   0.465  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.232  -0.619  -2.773  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.764   1.041   0.430  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.327   0.340   0.876  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -6.090   0.475   0.139  0.00  0.00    -0.269 N 
ATOM     12  C   LIG    1       -4.810   0.275   0.606  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -3.982   0.556  -0.471  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -4.862   0.872  -1.529  0.00  0.00    +0.143 A 
ATOM     15  N   LIG    1       -6.140   0.853  -1.151  0.00  0.00    -0.179 NA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.540  -0.197   1.984  0.00  0.00    +0.211 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -4.928   0.843   2.867  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -4.443   1.643   2.601  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1        1.627   0.499  -0.546  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.948   1.146   0.173  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.325  -0.770  -0.362  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.798  -0.559  -0.543  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.630  -0.124   0.485  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.316   0.246   1.886  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.736   0.319   2.450  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.662   0.545   1.364  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.983   0.102   0.259  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.568  -0.085  -0.977  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.754  -0.526  -2.021  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.390  -0.755  -1.798  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.635  -1.168  -2.827  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 6