REMARK  Name = BDB006104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.044  -1.533  -0.592  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        1.734  -0.701   0.263  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1        2.115   0.167  -0.095  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        1.906  -0.930   1.602  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        1.257  -2.155   2.091  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        1.373  -2.498   3.425  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.132  -1.594   4.302  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        2.695  -0.488   3.699  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1        3.239   0.138   4.286  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        2.268  -1.832   5.497  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        0.762  -3.662   3.895  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        0.050  -4.471   3.004  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.049  -4.116   1.652  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        0.557  -2.951   1.177  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        2.599  -0.146   2.377  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1        0.452  -2.628  -0.193  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.907  -1.149  -2.059  0.00  0.00    +0.181 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -0.279   0.968  -2.113  0.00  0.00    +0.401 C 
ATOM     19  N   LIG    1       -0.316  -0.401  -2.182  0.00  0.00    -0.274 N 
ATOM     20  H   LIG    1       -1.186  -0.811  -1.873  0.00  0.00    +0.152 HD
ATOM     21  O   LIG    1        0.745   1.632  -2.158  0.00  0.00    -0.226 OA
BRANCH  18  22
ATOM     22  O   LIG    1       -1.537   1.450  -1.959  0.00  0.00    -0.445 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -0.988   3.585  -0.830  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -1.764   2.883  -1.948  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1       -3.263   3.058  -1.670  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -1.453   3.479  -3.326  0.00  0.00    +0.055 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4