REMARK  Name = BDB021658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.241  -2.930  -0.633  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        0.525  -1.482  -0.244  0.00  0.00    +0.188 C 
ATOM      3  O   LIG    1        1.934  -1.302  -0.379  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1        2.482  -0.065  -0.195  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1        1.861   1.157   0.087  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.676   2.297   0.253  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.065   2.229   0.123  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.681   1.020  -0.175  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.403   1.421   0.267  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.068   2.314   1.048  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.549   0.705  -0.452  0.00  0.00    -0.291 N 
ATOM     12  C   LIG    1        3.888  -0.115  -0.325  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -0.226  -0.523  -1.165  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   8  14
ATOM     14  O   LIG    1        6.041   1.080  -0.271  0.00  0.00    -0.487 OA
BRANCH  14  15
ATOM     15  C   LIG    1        6.745  -0.078  -0.729  0.00  0.00    +0.189 C 
ATOM     16  C   LIG    1        8.139   0.361  -1.213  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        9.068  -0.596  -0.599  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       10.430  -0.084  -0.540  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        8.510  -0.849   0.729  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        7.033  -1.042   0.426  0.00  0.00    +0.061 C 
ENDBRANCH  14  15
ENDBRANCH   8  14
BRANCH  11  21
ATOM     21  C   LIG    1       -1.967   0.967  -0.160  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.464   0.194   1.073  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.645  -1.194   0.724  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.560  -1.235   0.372  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.800   0.727   1.636  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.930   0.387   0.740  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -6.095  -0.068   1.533  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.333  -0.315   0.698  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.486   0.293  -0.561  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.654   0.075  -1.304  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.676  -0.721  -0.788  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.538  -1.308   0.467  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.367   1.125  -1.134  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.373  -1.104   1.208  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.345   1.548  -0.071  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 7