REMARK  Name = BDB020807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.839   0.062  -0.313  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.052   0.776  -1.163  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.392   0.702  -0.872  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.008   1.513  -1.778  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.121   2.006  -2.612  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.905  -0.051   0.187  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.089  -0.687   0.984  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.117   1.537  -2.226  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.263  -0.611   0.710  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.135   0.121  -0.531  0.00  0.00    -0.309 N 
ATOM     11  C   LIG    1        4.414   1.296  -1.044  0.00  0.00    +0.112 C 
ATOM     12  C   LIG    1        2.998   1.384  -0.467  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        2.291   0.052  -0.483  0.00  0.00    -0.036 C 
ATOM     14  C   LIG    1        2.989  -1.085  -0.663  0.00  0.00    -0.004 C 
ATOM     15  C   LIG    1        4.478  -1.159  -0.828  0.00  0.00    +0.134 C 
BRANCH  10  16
ATOM     16  C   LIG    1        6.544   0.132  -0.428  0.00  0.00    +0.133 C 
ATOM     17  S   LIG    1        7.548   1.248  -1.177  0.00  0.00    -0.019 S 
BRANCH  16  18
ATOM     18  N   LIG    1        7.006  -0.900   0.372  0.00  0.00    -0.327 N 
ATOM     19  H   LIG    1        6.320  -1.241   1.032  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        8.839  -0.397   1.946  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        8.390  -1.189   0.731  0.00  0.00    +0.100 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.262  -0.115   0.424  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.381  -0.534   1.348  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.113  -0.857  -0.506  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.523  -0.896   0.010  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.298   0.249   0.175  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.955   1.677  -0.029  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.355   2.286   0.060  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.216   1.386   0.793  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.595   0.170   0.670  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.180  -1.029   1.020  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.429  -2.191   0.850  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.122  -2.117   0.350  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.431  -3.257   0.206  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7