REMARK  Name = BDB013195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.415  -0.096   0.301  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.874  -0.825  -0.789  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.512  -1.004  -0.804  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.250  -1.701  -1.948  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.373  -1.959  -2.580  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.344  -0.517   0.195  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.165   0.159   1.191  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.400  -1.404  -1.849  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.533   0.349   1.221  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -6.155   3.195   0.298  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.650   1.797   0.493  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -6.553   0.854   0.837  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -6.101  -0.411   0.996  0.00  0.00    +0.115 A 
ATOM     14  C   LIG    1       -4.773  -0.800   0.852  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -4.398  -2.240   1.039  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -3.850   0.194   0.495  0.00  0.00    -0.007 A 
ATOM     17  C   LIG    1       -4.302   1.508   0.313  0.00  0.00    +0.032 A 
ENDBRANCH   1  16
BRANCH   6  18
ATOM     18  N   LIG    1        1.698  -0.761   0.093  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.989  -1.572  -0.442  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.592  -0.475   1.203  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.014  -0.593   0.738  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.607   0.355  -0.091  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.034   1.577  -0.708  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.323   2.230  -1.205  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.339   1.212  -1.359  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.915   0.203  -0.534  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.689  -0.884  -0.184  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.120  -1.845   0.652  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.801  -1.694   1.101  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.281  -2.649   1.885  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4