REMARK  Name = BDB029525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.164   0.762  -1.427  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.055   0.598  -0.766  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.201  -0.084   0.523  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1        2.293   0.551   1.377  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.635   0.545   0.641  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1        4.414  -0.742   0.978  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1        4.040  -1.885   0.757  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        5.590  -0.406   1.570  0.00  0.00    -0.238 N 
ATOM      9  H   LIG    1        6.276  -1.062   1.902  0.00  0.00    +0.159 HD
ATOM     10  C   LIG    1        5.679   0.931   1.742  0.00  0.00    +0.307 C 
ATOM     11  O   LIG    1        6.591   1.532   2.279  0.00  0.00    -0.252 OA
ATOM     12  N   LIG    1        4.552   1.513   1.216  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        4.429   2.518   1.240  0.00  0.00    +0.151 HD
ATOM     14  C   LIG    1        3.520   0.704  -0.879  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        2.199   1.354  -1.266  0.00  0.00    +0.110 C 
ATOM     16  O   LIG    1       -0.337   1.586  -2.322  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -3.671  -0.224  -0.425  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -2.543   0.533  -0.774  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1       -1.315  -0.085  -1.041  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -1.206  -1.474  -1.006  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -2.319  -2.235  -0.662  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.541  -1.613  -0.368  0.00  0.00    +0.023 A 
BRANCH  17  25
ATOM     23  C   LIG    1       -6.527  -1.227   0.494  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -6.111   0.185   0.218  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1       -4.845   0.506  -0.167  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1       -4.774   1.512  -0.290  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -6.924   1.106   0.344  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  19
TORSDOF 2