REMARK  Name = BDB052858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.308  -1.224  -0.449  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -1.054  -2.245   0.693  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.634  -2.023   1.823  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -1.398  -3.472   0.205  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.351  -4.688   0.984  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -1.862  -3.322  -1.046  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -1.869  -2.124  -1.527  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        2.231   0.340  -0.652  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        1.088  -0.290  -0.146  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -0.019  -0.557  -0.972  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        0.053  -0.143  -2.317  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.193   0.486  -2.824  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.283   0.724  -1.991  0.00  0.00    +0.017 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.281   0.815   0.928  0.00  0.00    -0.097 C 
ATOM     15  C   LIG    1        3.345   0.597   0.208  0.00  0.00    -0.066 C 
BRANCH  14  16
ATOM     16  C   LIG    1        5.425   1.082   1.810  0.00  0.00    +0.089 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.926   2.203   0.087  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        6.182   2.348   1.409  0.00  0.00    +0.009 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  19
ATOM     19  C   LIG    1       -2.339  -0.157  -0.027  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -2.155   0.613   1.134  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -3.082   1.591   1.504  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.206   1.842   0.717  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -4.409   1.085  -0.435  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.481   0.103  -0.806  0.00  0.00    +0.010 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.033   2.823   1.186  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.910   3.401   0.236  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1       -6.443   4.515   0.801  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -6.944   2.553   0.009  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  19
BRANCH   6  29
ATOM     29  N   LIG    1       -2.297  -4.376  -1.776  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1       -2.398  -4.145  -2.760  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -1.821  -5.256  -1.629  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 8