REMARK  Name = BDB013093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.004  -0.543   0.175  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.343  -0.299   1.382  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.024  -0.243   1.491  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.346   0.032   2.738  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.821   0.121   3.467  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.783  -0.483   0.310  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.066  -0.725  -0.811  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.821  -0.105   2.645  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.312  -0.772  -0.908  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.261  -0.449   0.242  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -2.995   0.516   0.921  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1       -4.349   0.617   0.899  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -5.056  -0.283   0.185  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -4.399  -1.309  -0.493  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -3.004  -1.393  -0.467  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1       -6.452  -0.205   0.176  0.00  0.00    -0.314 N 
ATOM     17  C   LIG    1       -7.017   0.734   1.161  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1       -8.543   0.629   1.225  0.00  0.00    +0.088 C 
ATOM     19  S   LIG    1       -9.367   1.158  -0.320  0.00  0.00    -0.158 S 
ATOM     20  C   LIG    1       -7.980   0.905  -1.480  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -7.119  -0.314  -1.133  0.00  0.00    +0.117 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1        3.379  -0.568   0.118  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.644  -1.012  -0.760  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.117   0.687   0.233  0.00  0.00    +0.143 C 
BRANCH  24  27
ATOM     25  F   LIG    1        5.550   0.391   2.643  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.242   0.244   1.503  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        5.587   0.399   0.273  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        6.355   0.228  -0.875  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.964   0.246  -2.305  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        7.353   0.288  -2.944  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        8.318  -0.239  -2.005  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        7.707  -0.084  -0.788  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        8.353  -0.243   0.421  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        7.605  -0.070   1.585  0.00  0.00    +0.042 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5