REMARK  Name = BDB031100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.328  -1.468  -2.061  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.335  -0.931  -1.313  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.717  -1.711  -0.989  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.771  -3.051  -1.367  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.260  -3.597  -2.124  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.327  -2.788  -2.490  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        3.446   1.691   0.331  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.753   0.702  -0.267  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1        2.970   0.406  -1.616  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.916   1.079  -2.389  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.983   0.597  -3.610  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        3.049  -0.402  -3.647  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.645   2.131  -1.766  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.390  -0.547  -2.438  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        4.423   2.428  -0.471  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1        2.885   3.378   1.880  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        3.273   2.079   1.770  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1        4.449   1.975   2.447  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1       -1.793  -1.203  -0.236  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -2.646  -1.424  -0.745  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.719   0.222   0.102  0.00  0.00    +0.072 C 
ATOM     22  C   LIG    1       -3.105   0.727   0.526  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -3.245   0.263   1.978  0.00  0.00    -0.003 C 
ATOM     24  C   LIG    1       -4.244  -0.899   2.231  0.00  0.00    +0.089 C 
ATOM     25  N   LIG    1       -4.705  -0.195   3.447  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -4.194  -0.476   4.285  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.216   1.076   2.871  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -1.828   0.027   2.520  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -0.902   0.445   1.376  0.00  0.00    +0.023 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4