REMARK  Name = BDB063954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.528  -1.820  -0.487  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.768  -3.046  -1.003  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.093  -3.728  -1.297  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.106  -3.271  -1.005  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.708  -4.260  -1.370  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.640  -2.002  -0.440  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.952  -1.804  -0.261  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.591  -1.159  -0.144  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.591  -0.604   0.302  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.097   0.688   0.065  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.780   1.790   0.610  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.944   1.638   1.367  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.508   2.813   1.837  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.781   3.833   1.441  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.441   0.339   1.584  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.402   3.469   0.495  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.765  -0.764   1.046  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.753  -1.398  -0.376  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -1.469  -1.887  -0.897  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.078  -0.033  -0.021  0.00  0.00    +0.139 C 
BRANCH  20  26
ATOM     21  C   LIG    1       -6.887   0.457   0.214  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.389   0.347   0.128  0.00  0.00    -0.048 A 
ATOM     23  C   LIG    1       -4.687   0.757  -1.023  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -5.405   1.325  -2.217  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -3.288   0.636  -1.055  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.578   0.120   0.039  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.287  -0.294   1.171  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.676  -0.178   1.215  0.00  0.00    +0.004 A 
ENDBRANCH  20  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4