REMARK  Name = BDB031083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.859   1.987  -0.524  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -3.448   0.613  -0.121  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.132   0.313  -0.213  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1       -1.208   1.258  -0.652  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.564   2.558  -0.987  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.520   3.286  -1.312  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        0.552   2.443  -1.185  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        0.162   1.165  -0.831  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -2.942   2.896  -0.926  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -4.388  -0.364   0.359  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.363  -1.720   0.108  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -5.434  -2.249   0.770  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -5.838  -3.633   0.804  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -6.149  -1.336   1.450  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -5.514  -0.188   1.194  0.00  0.00    +0.143 A 
ENDBRANCH   2  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.973  -0.022  -0.634  0.00  0.00    +0.091 A 
ATOM     17  N   LIG    1        2.014   0.156   0.209  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1        2.834  -0.886   0.421  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.635  -2.126  -0.174  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        1.564  -2.292  -1.048  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.718  -1.218  -1.292  0.00  0.00    +0.030 A 
BRANCH  18  22
ATOM     22  N   LIG    1        3.889  -0.646   1.307  0.00  0.00    -0.319 N 
ATOM     23  H   LIG    1        3.731   0.331   1.578  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.222  -0.780   0.686  0.00  0.00    +0.156 C 
ATOM     25  C   LIG    1        5.604   0.331  -0.294  0.00  0.00    +0.280 C 
ATOM     26  F   LIG    1        5.098   1.526   0.100  0.00  0.00    -0.202 F 
ATOM     27  F   LIG    1        5.160   0.081  -1.544  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        7.133   0.367  -0.234  0.00  0.00    +0.158 C 
ATOM     29  N   LIG    1        7.570  -0.355   0.989  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1        7.987  -1.247   0.715  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        6.325  -0.612   1.738  0.00  0.00    +0.109 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   8  16
BRANCH   1  33
ATOM     32  C   LIG    1       -5.717   3.482  -0.847  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.220   2.207  -0.462  0.00  0.00    -0.494 OA
ENDBRANCH   1  33
TORSDOF 5