REMARK  Name = BDB020803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.693  -0.267  -0.140  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.079   0.381  -1.256  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.285   0.276  -1.380  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.609   0.997  -2.493  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.479   1.490  -3.038  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.091  -0.436  -0.483  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.530  -1.022   0.539  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.545   1.106  -2.256  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.840  -0.922   0.680  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        8.088   1.010  -0.206  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        7.203   0.609   0.948  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1        5.919   0.174   0.639  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        5.093  -0.344   1.724  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        3.618   0.017   1.542  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        3.139  -0.225   0.128  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        4.044  -0.334  -0.865  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        5.529  -0.208  -0.713  0.00  0.00    +0.135 C 
ATOM     18  O   LIG    1        7.624   0.686   2.103  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  N   LIG    1       -2.452  -0.492  -0.703  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.776  -0.377  -1.657  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.295  -1.392   0.067  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.736  -1.054  -0.182  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.360   0.032   0.423  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.843   0.992   1.429  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.964   2.031   1.379  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.164   1.408   0.866  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.696   0.320   0.176  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.468  -0.443  -0.677  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.859  -1.525  -1.312  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.511  -1.817  -1.066  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.956  -2.857  -1.703  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4