REMARK  Name = BDB029492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.231  -0.959   0.261  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1       -0.127  -0.719   0.365  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1       -0.816   0.565   0.303  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -2.317   0.232   0.259  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.854   0.250  -1.171  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.144   0.308  -2.169  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.221   0.195  -1.294  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -4.552   0.214  -2.251  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.109   0.738  -0.401  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.238   1.069  -0.750  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.629   0.882   1.023  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -3.147   1.229   1.074  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.374  -1.200   0.825  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.067  -1.822   0.360  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1        1.665  -2.113   0.235  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        2.525   0.606   1.715  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        2.170   0.257   0.267  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.397   0.052  -0.603  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.498   0.695  -1.835  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1        4.553   0.582  -2.675  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        5.554  -0.232  -2.281  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        5.551  -0.932  -1.087  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.456  -0.787  -0.240  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 2