REMARK  Name = BDB021920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.770   0.740   0.975  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.788  -0.290   0.314  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.698  -1.137   0.220  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.625  -1.635  -0.654  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.850  -0.791  -0.408  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.758  -1.756  -0.686  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.103  -0.186  -0.626  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        6.085  -0.958  -1.263  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        7.351  -0.425  -1.522  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        7.631   0.883  -1.149  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1        8.843   1.395  -1.398  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        6.670   1.665  -0.523  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        5.403   1.131  -0.264  0.00  0.00    +0.026 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1        0.430  -0.782   0.851  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -0.340   0.244   0.017  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -1.710   0.531   0.630  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1       -2.491  -0.709   0.783  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.786  -1.665   1.648  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.423  -2.031   1.065  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.833  -0.429   1.332  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.736   0.314   0.369  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.322   1.534   0.737  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.166   2.209  -0.147  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.435   1.671  -1.405  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.862   0.458  -1.780  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.018  -0.218  -0.898  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4