REMARK  Name = BDB042699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.998   0.724  -0.037  0.00  0.00    +0.176 C 
ATOM      2  C   LIG    1        1.761   1.537  -0.459  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1        0.520   1.207   0.389  0.00  0.00    +0.060 C 
ATOM      4  N   LIG    1        0.257  -0.233   0.196  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.298  -0.862   1.030  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        1.318  -0.025   2.315  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        0.785   1.345   1.890  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1        2.616  -0.740   0.244  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1   9
ATOM      9  O   LIG    1        3.954   0.810  -1.100  0.00  0.00    -0.489 OA
BRANCH   9  13
ATOM     10  C   LIG    1        8.063   0.304  -0.606  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        7.241   0.195   0.520  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.854   0.357   0.405  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.281   0.628  -0.837  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        6.107   0.736  -1.960  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        7.491   0.575  -1.851  0.00  0.00    +0.022 A 
BRANCH  10  17
ATOM     16  N   LIG    1       10.629   0.002  -0.378  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        9.481   0.138  -0.483  0.00  0.00    +0.099 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   4  18
ATOM     18  C   LIG    1       -1.116  -0.610   0.565  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.470  -2.001   0.018  0.00  0.00    +0.021 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.880  -2.458   0.415  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.991  -1.574  -0.095  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.177  -1.523  -1.456  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -3.575  -2.058  -2.072  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.144  -0.780  -2.103  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -5.234  -0.799  -3.324  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.042   0.019  -1.236  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1       -5.858  -0.036   0.155  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -6.698   0.711   0.992  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -7.710   1.504   0.447  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.887   1.554  -0.935  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -7.055   0.813  -1.772  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -7.263   0.892  -3.093  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.794  -0.870   0.720  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7