REMARK  Name = BDB021070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.062  -4.224  -1.814  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.088  -3.144  -1.575  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.686  -2.034  -0.843  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.444  -1.998  -0.073  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -2.024  -0.597   0.205  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -2.841   0.492  -0.025  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.133   1.636   0.270  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -0.926   1.316   0.697  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.172   0.368  -0.590  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -0.847  -0.056   0.681  0.00  0.00    +0.097 A 
ATOM     11  C   LIG    1       -4.700  -1.054  -0.460  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -5.224  -3.261  -2.035  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.376  -0.749   1.043  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        0.385  -1.921   1.800  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -0.761  -2.460   2.245  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        1.572  -2.568   2.151  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        2.775  -1.998   1.715  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.822  -0.826   0.957  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.210  -0.600   0.736  0.00  0.00    +0.103 A 
ATOM     20  N   LIG    1        4.971  -1.530   1.330  0.00  0.00    -0.170 NA
ATOM     21  N   LIG    1        4.085  -2.363   1.897  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        4.565  -3.507   2.637  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        1.603  -0.190   0.635  0.00  0.00    +0.025 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.814   0.494  -0.020  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        6.106   0.963   0.071  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.207   1.973  -0.837  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.370   2.781  -1.109  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.072   2.189  -1.528  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.228   1.276  -1.033  0.00  0.00    +0.144 A 
ENDBRANCH  19  24
ENDBRANCH  10  13
BRANCH   7  30
ATOM     30  C   LIG    1       -2.597   3.057   0.127  0.00  0.00    +0.083 C 
ATOM     31  C   LIG    1       -3.870   3.378   0.894  0.00  0.00    +0.171 C 
ATOM     32  O   LIG    1       -4.895   3.575  -0.092  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1       -4.244   4.131  -1.238  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -2.888   3.462  -1.310  0.00  0.00    +0.041 C 
ENDBRANCH   7  30
TORSDOF 3