REMARK  Name = BDB005704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.983   0.086  -0.133  0.00  0.00    -0.310 N 
ATOM      2  C   LIG    1       -1.860  -0.951   0.141  0.00  0.00    +0.096 A 
ATOM      3  C   LIG    1       -2.899  -0.322   0.831  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.969  -1.056   1.336  0.00  0.00    +0.065 A 
ATOM      5  CA  LIG    1       -3.914  -2.412   1.094  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1       -2.925  -3.052   0.405  0.00  0.00    -0.238 NA
ATOM      7  N   LIG    1       -2.705   1.029   0.905  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1       -1.887  -2.332  -0.099  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -1.571   1.260   0.293  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.921  -3.088  -0.877  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -0.850  -2.983  -2.273  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        0.079  -3.743  -2.978  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1        0.197  -3.607  -4.684  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        0.907  -4.600  -2.273  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1        0.861  -4.746  -0.928  0.00  0.00    -0.261 NA
ATOM     16  C   LIG    1       -0.060  -4.001  -0.268  0.00  0.00    +0.120 A 
ENDBRANCH   8  10
BRANCH   9  17
ATOM     17  N   LIG    1       -0.987   2.470   0.078  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1       -1.766   3.363  -0.834  0.00  0.00    +0.107 C 
ATOM     19  C   LIG    1       -1.525   4.773  -0.291  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1       -1.512   4.530   1.203  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -0.709   3.241   1.317  0.00  0.00    +0.108 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -1.314   3.228  -2.284  0.00  0.00    +0.235 C 
ATOM     23  F   LIG    1       -2.022   4.087  -3.065  0.00  0.00    -0.247 F 
ENDBRANCH  18  22
ENDBRANCH   9  17
BRANCH   5  24
ATOM     24  C   LIG    1       -5.005  -3.299   1.592  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1       -5.971  -2.929   2.234  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1       -4.772  -4.584   1.229  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -3.932  -4.624   0.715  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   5  24
BRANCH   1  28
ATOM     28  C   LIG    1        0.326   0.002  -0.758  0.00  0.00    +0.128 C 
BRANCH  28  33
ATOM     29  C   LIG    1        5.205   0.466   1.786  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        4.237   0.537   0.603  0.00  0.00    -0.014 C 
ATOM     31  C   LIG    1        2.946   1.288   0.978  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        1.810   0.333   1.325  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        1.436  -0.582   0.141  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        2.663  -0.918  -0.735  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        3.960  -0.877   0.062  0.00  0.00    +0.003 C 
ENDBRANCH  28  33
ENDBRANCH   1  28
TORSDOF 7