REMARK  Name = BDB042559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.671   0.789   0.283  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.601   1.536  -0.078  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.682   0.766  -0.477  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.915   1.446  -0.905  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.716   0.601  -1.907  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1        4.083  -0.722  -1.350  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1        3.101  -1.297  -0.400  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        1.691  -0.701  -0.577  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.662   2.763  -0.014  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.395  -0.790  -0.842  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        6.093   0.345  -0.618  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        7.353   0.244  -0.127  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        7.977  -0.956   0.160  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        7.263  -2.125  -0.074  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.965  -2.039  -0.580  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.309  -0.982   0.674  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       10.390  -1.005   1.094  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.824   1.748   0.583  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.489   0.886  -1.840  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.483   0.191  -0.503  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.373   0.244   0.370  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -5.437  -0.428   1.609  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -4.272  -0.367   2.526  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.185   0.357   2.086  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.415   0.401   2.744  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.104   1.007   0.880  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.243  -0.922   3.618  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.582  -1.137   1.966  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.673  -1.787   3.135  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.674  -1.190   1.108  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.143   0.979   0.031  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.627  -0.531  -0.118  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5