REMARK  Name = BDB058014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.984  -1.035  -2.205  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.876  -0.979  -3.062  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.394  -1.368  -2.623  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.583  -1.830  -1.316  0.00  0.00    -0.033 A 
ATOM      5  C   LIG    1       -0.527  -1.906  -0.464  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.796  -1.516  -0.905  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.021   1.255   0.769  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.548   0.798  -0.448  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.317   0.238  -0.704  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.307  -0.087  -2.053  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.596   0.288  -2.690  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.953   0.159  -3.840  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -3.299  -0.646  -2.736  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.354   0.856  -1.583  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.638   1.368  -1.572  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.122   1.845  -0.354  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.323   1.791   0.807  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.812   1.056   3.181  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -5.211   0.899   3.982  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -6.768   0.737   3.251  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -5.171   1.200   1.981  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -3.951   1.262   1.928  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        1.954  -2.263  -0.839  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.411  -1.546   0.362  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        2.572  -0.094   0.096  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        3.654   0.598   0.954  0.00  0.00    +0.123 C 
ATOM     27  N   LIG    1        4.953  -0.026   0.705  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1        4.976  -1.465   0.445  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1        3.657  -2.134   0.901  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     30  C   LIG    1        6.077   0.575   1.228  0.00  0.00    +0.218 A 
ATOM     31  N   LIG    1        7.259  -0.059   1.128  0.00  0.00    -0.223 NA
ATOM     32  C   LIG    1        8.347   0.558   1.625  0.00  0.00    +0.116 A 
ATOM     33  C   LIG    1        8.314   1.790   2.224  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        7.073   2.367   2.283  0.00  0.00    +0.116 A 
ATOM     35  N   LIG    1        5.959   1.787   1.798  0.00  0.00    -0.223 NA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5