REMARK  Name = BDB054310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.624   2.614  -0.828  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1       -0.627   2.141  -0.314  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -1.622   2.996  -0.783  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.977   2.816  -0.476  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.335   1.740   0.345  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.360   0.864   0.819  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1       -1.004   3.961  -1.542  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1       -1.484   4.720  -2.005  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.006   1.056   0.500  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.346   3.742  -1.575  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.977   2.001  -0.598  0.00  0.00    +0.071 C 
BRANCH  11  12
ATOM     12  CA  LIG    1        2.232   0.779  -1.498  0.00  0.00    +0.186 C 
BRANCH  12  15
ATOM     13  O   LIG    1        4.655   1.040  -0.062  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        4.173  -0.077  -0.203  0.00  0.00    +0.245 C 
ATOM     15  N   LIG    1        2.961  -0.309  -0.821  0.00  0.00    -0.298 N 
ATOM     16  H   LIG    1        2.841  -1.225  -1.236  0.00  0.00    +0.150 HD
BRANCH  14  17
ATOM     17  C   LIG    1        4.920  -1.280   0.261  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.266  -2.474   0.600  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        5.007  -3.576   1.037  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        6.395  -3.485   1.142  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        7.301  -4.844   1.681  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        7.051  -2.298   0.821  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.313  -1.194   0.385  0.00  0.00    +0.014 A 
ENDBRANCH  14  17
ENDBRANCH  12  15
BRANCH  12  24
ATOM     24  C   LIG    1        2.960   1.088  -2.812  0.00  0.00    +0.326 C 
ATOM     25  O   LIG    1        3.584   0.272  -3.479  0.00  0.00    -0.249 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        2.812   2.342  -3.277  0.00  0.00    -0.479 OA
ATOM     27  HXT LIG    1        3.335   2.348  -4.106  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  12  24
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   5  28
ATOM     28  O   LIG    1       -4.680   1.639   0.583  0.00  0.00    -0.487 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.108   0.846   1.695  0.00  0.00    +0.264 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.348  -0.606   1.345  0.00  0.00    -0.010 A 
ATOM     31  C   LIG    1       -5.736  -0.995   0.055  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -5.980  -2.337  -0.240  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.852  -3.305   0.754  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.483  -2.931   2.045  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -5.237  -1.589   2.340  0.00  0.00    +0.007 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9