REMARK  Name = BDB049226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.095  -0.659  -0.077  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.256  -1.458   0.194  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.376  -0.613   0.208  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        3.685  -1.085   0.462  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.814  -2.469   0.697  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.720  -3.330   0.679  0.00  0.00    +0.003 A 
ATOM      7  N   LIG    1        1.901   0.659  -0.059  0.00  0.00    -0.348 N 
ATOM      8  C   LIG    1        2.710   1.855  -0.168  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1        1.441  -2.836   0.431  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.540   0.641  -0.209  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   4  11
ATOM     11  N   LIG    1        4.783  -0.210   0.488  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1        5.734  -0.456  -0.623  0.00  0.00    +0.201 C 
ATOM     13  C   LIG    1        6.972   0.464  -0.585  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        7.612   0.688  -1.616  0.00  0.00    -0.274 OA
ATOM     15  N   LIG    1        7.388   0.941   0.663  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1        8.505   1.864   0.705  0.00  0.00    +0.132 C 
ATOM     17  C   LIG    1        6.437   1.007   1.773  0.00  0.00    +0.126 C 
ATOM     18  C   LIG    1        5.454  -0.166   1.794  0.00  0.00    +0.124 C 
ENDBRANCH   4  11
BRANCH   1  22
ATOM     19  N   LIG    1       -3.282   0.068   0.557  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -3.549  -0.464  -0.778  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.138  -0.617  -1.387  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -1.331  -1.146  -0.166  0.00  0.00    +0.053 C 
ATOM     23  C   LIG    1       -2.162  -0.733   1.069  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.108  -1.486  -2.598  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -0.740  -1.637  -3.109  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -2.958  -0.936  -3.661  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -4.436   0.054   1.458  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -7.121  -0.678   0.220  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.729   0.748   0.506  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -5.487   1.082   1.091  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.210   2.435   1.343  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -4.054   2.788   1.927  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -6.113   3.443   1.018  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -7.330   3.112   0.434  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -7.637   1.774   0.184  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 5