REMARK  Name = BDB020932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.747  -0.597   0.521  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.509  -0.327   1.268  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.274  -0.219   0.350  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.135  -1.350  -0.575  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.061  -1.823  -1.091  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.105  -2.781  -1.863  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.385  -1.977  -1.019  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.604  -1.051  -0.872  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.222   1.551   1.358  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.843   1.183   0.082  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.713   0.487  -0.201  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.892   0.132   0.813  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.225   0.460   2.129  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        6.392   1.177   2.406  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.405   2.881   1.763  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.427   2.283   1.581  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.324  -1.095  -0.670  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.561  -1.656  -1.364  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.738  -0.753  -1.102  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -4.003   0.183  -2.064  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.461   0.225  -2.916  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -5.025   1.092  -1.967  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.248   1.919  -2.842  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.834   1.010  -0.740  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -5.486   0.028   0.195  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -6.237  -0.075   1.369  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -7.311   0.789   1.598  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -7.633   1.756   0.650  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.663   2.581   0.877  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.904   1.880  -0.524  0.00  0.00    +0.053 A 
ATOM     31  N   LIG    1       -4.411  -0.854  -0.002  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5