REMARK  Name = BDB002629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091  -2.565   0.533  0.00  0.00    +0.135 C 
ATOM      2  C   LIG    1        1.496  -2.448   1.171  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.736  -2.212   2.349  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        2.438  -2.615   0.194  0.00  0.00    -0.216 N 
ATOM      5  C   LIG    1        1.839  -2.858  -0.995  0.00  0.00    +0.310 C 
ATOM      6  O   LIG    1        2.390  -2.908  -2.083  0.00  0.00    -0.252 OA
ATOM      7  N   LIG    1        0.487  -2.968  -0.805  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -0.129  -2.937  -1.606  0.00  0.00    +0.152 HD
ATOM      9  C   LIG    1       -0.672  -3.684   1.243  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.174   1.182   0.194  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -2.701  -0.048  -0.234  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.975  -1.239  -0.112  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -0.689  -1.256   0.453  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1       -0.162  -0.031   0.880  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -0.890   1.162   0.753  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -2.273   3.739   0.559  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -2.994   2.474   0.039  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -3.311   2.712  -1.454  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.317   2.347   0.825  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   4  20
ATOM     20  C   LIG    1        3.865  -2.494   0.409  0.00  0.00    +0.199 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.405  -1.062   0.446  0.00  0.00    +0.197 C 
ATOM     22  O   LIG    1        5.434  -0.833   1.087  0.00  0.00    -0.289 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.764  -0.014  -0.335  0.00  0.00    +0.084 A 
ATOM     24  N   LIG    1        3.183  -0.158  -1.577  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1        3.138  -1.019  -2.115  0.00  0.00    +0.165 HD
ATOM     26  C   LIG    1        2.668   1.042  -1.996  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1        2.971   1.990  -1.048  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.681   1.333  -0.017  0.00  0.00    +0.030 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5