REMARK  Name = BDB004637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.923  -1.697   0.153  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.846  -1.046  -0.439  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.371  -1.729  -0.719  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.514  -3.083  -0.379  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        1.651  -3.750  -0.643  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        2.657  -3.069  -1.194  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        2.629  -1.786  -1.559  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -0.586  -3.709   0.218  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        1.488  -1.119  -1.329  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -1.792  -3.039   0.476  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.499  -5.125   0.627  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        0.308  -5.522   1.455  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -1.415  -5.964   0.052  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.301  -6.951   0.243  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.964  -5.693  -0.751  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  16
ATOM     16  N   LIG    1        1.390   0.231  -1.737  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.655   0.290  -2.435  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.619   0.858  -2.215  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.433   1.399  -1.062  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.984   2.509  -0.333  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.733   3.009   0.735  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.942   2.401   1.104  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        5.391   1.291   0.374  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.641   0.793  -0.694  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.760   2.953   2.244  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        4.998   3.509   3.229  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        6.616   3.933   1.840  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.532   2.014   2.860  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  29
ATOM     29  O   LIG    1       -3.132  -1.145   0.462  0.00  0.00    -0.491 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -3.277   0.266   0.266  0.00  0.00    +0.244 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.687   0.671   0.725  0.00  0.00    +0.124 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -6.451   2.308   0.692  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -5.019   2.086   0.470  0.00  0.00    -0.305 NA
ATOM     34  C   LIG    1       -4.245   2.989   1.327  0.00  0.00    +0.104 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 9