REMARK  Name = BDB022184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037  -1.674  -0.688  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -1.220  -1.826   0.211  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1       -0.946  -2.581   1.542  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1       -1.538  -2.301   2.589  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.086  -3.659   1.502  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.001  -4.224   2.337  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.754  -3.802   0.427  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        1.667  -4.788   0.194  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        1.954  -5.950   0.998  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1        2.356  -4.598  -0.951  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        1.870  -3.450  -1.448  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        2.409  -2.892  -2.712  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        0.866  -2.910  -0.612  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        2.584   1.728   0.264  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        1.896   1.651  -0.946  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.091   0.547  -1.240  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        0.956  -0.511  -0.328  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1        1.644  -0.416   0.893  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.454   0.690   1.184  0.00  0.00    +0.046 A 
BRANCH  14  20
ATOM     20  O   LIG    1        3.335   2.859   0.424  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1        4.857   4.280   1.581  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        4.089   2.972   1.630  0.00  0.00    +0.225 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   2  23
ATOM     23  N   LIG    1       -1.909  -0.570   0.506  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1       -2.134  -0.397   1.481  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1       -2.520   0.164  -0.482  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -2.511  -0.172  -1.662  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -3.230   1.396  -0.048  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -4.316   1.845  -0.810  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -5.018   3.000  -0.439  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -6.162   3.493  -1.274  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.598   3.719   0.687  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.505   3.284   1.439  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.819   2.125   1.074  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 5