REMARK  Name = BDB052863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.469  -1.142   0.326  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -2.517  -2.151   0.868  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -3.292  -1.999   1.806  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -2.422  -3.269   0.092  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -3.262  -4.434   0.253  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -1.493  -3.058  -0.855  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.895  -1.913  -0.840  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        1.979  -0.141   1.711  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.930  -0.449   0.841  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -0.336  -0.838   1.327  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1       -0.516  -0.882   2.720  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.534  -0.574   3.591  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.780  -0.208   3.088  0.00  0.00    +0.017 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.321   0.568   0.744  0.00  0.00    -0.095 C 
ATOM     15  C   LIG    1        3.253   0.245   1.189  0.00  0.00    -0.066 C 
BRANCH  14  16
ATOM     16  C   LIG    1        5.628   0.961   0.195  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.968   0.190  -1.083  0.00  0.00    +0.172 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.407   1.786  -2.769  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        5.125   0.518  -2.190  0.00  0.00    -0.382 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  20
ATOM     20  C   LIG    1       -2.146   0.160  -0.145  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -2.941   0.921   0.731  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.544   2.115   0.316  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.356   2.581  -0.983  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -2.579   1.833  -1.867  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -1.973   0.643  -1.453  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -3.890   3.722  -1.511  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.319   4.698  -0.578  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1       -4.561   5.842  -1.269  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.505   4.313  -0.043  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  20
BRANCH   6  30
ATOM     30  N   LIG    1       -1.188  -3.998  -1.780  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1       -1.226  -4.960  -1.474  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -0.326  -3.779  -2.272  0.00  0.00    +0.145 HD
ENDBRANCH   6  30
TORSDOF 9