REMARK  Name = BDB063231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808   0.318  -0.779  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.873  -0.489  -0.230  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.367  -0.437  -0.752  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.639   0.383  -1.829  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.305   1.179  -2.359  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.546   1.145  -1.815  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.782  -1.440   1.599  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -3.598  -0.470   0.819  0.00  0.00    +0.114 A 
ATOM      9  N   LIG    1       -3.133   0.304  -0.244  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1       -4.219   1.063  -0.682  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -5.269   0.693   0.154  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -6.537   1.274  -0.007  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.726   2.224  -1.015  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.671   2.588  -1.847  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.400   2.018  -1.700  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -4.873  -0.243   1.064  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        1.309  -1.290  -0.174  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        0.863  -1.854   0.543  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.699  -1.179   0.001  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.409   0.017  -0.142  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.803   0.058   0.013  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.512  -1.104   0.312  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        4.815  -2.304   0.441  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.425  -2.341   0.290  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1        6.863  -1.204   0.481  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1        7.573   0.009   0.662  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1        8.849  -0.314   0.991  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.634   0.671  -0.520  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5