REMARK  Name = BDB055182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.299   2.384   1.182  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -0.369   1.231   0.776  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1        1.070   1.700   0.480  0.00  0.00    +0.072 C 
ATOM      4  C   LIG    1        0.970   2.927  -0.497  0.00  0.00    +0.099 C 
ATOM      5  N   LIG    1        0.080   4.006  -0.049  0.00  0.00    -0.314 NA
ATOM      6  H   LIG    1        0.438   4.397   0.824  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.280   3.513   0.159  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        2.018   0.662  -0.060  0.00  0.00    -0.283 NA
ATOM      9  C   LIG    1        2.080  -0.683   0.572  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1        0.793  -1.522   0.346  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1        2.395  -0.630   2.080  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        3.172  -1.518  -0.172  0.00  0.00    +0.135 C 
ATOM     13  N   LIG    1        4.499  -0.945  -0.127  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        4.626   0.426  -0.288  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1        5.706   0.995  -0.481  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        3.373   1.295  -0.178  0.00  0.00    +0.181 C 
BRANCH  13  17
ATOM     17  C   LIG    1        5.656  -1.800  -0.047  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        5.770  -3.070  -0.654  0.00  0.00    +0.062 A 
ATOM     19 CL   LIG    1        4.618  -3.720  -1.775  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        6.915  -3.859  -0.455  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        7.965  -3.404   0.338  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.881  -2.152   0.929  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.742  -1.363   0.737  0.00  0.00    +0.025 A 
ENDBRANCH  13  17
ENDBRANCH   3   8
BRANCH   1  26
ATOM     24  N   LIG    1       -3.372   1.383   0.323  0.00  0.00    -0.312 N 
ATOM     25  H   LIG    1       -2.829   1.214  -0.510  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -2.718   1.888   1.426  0.00  0.00    +0.218 C 
ATOM     27  O   LIG    1       -3.223   1.935   2.545  0.00  0.00    -0.275 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -4.690   0.760   0.421  0.00  0.00    +0.073 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.889  -1.303   1.329  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.562  -0.692   0.904  0.00  0.00    +0.019 C 
ENDBRANCH  28  30
BRANCH  28  31
ATOM     31  C   LIG    1       -5.519   0.991  -0.864  0.00  0.00    +0.025 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -5.224   0.233  -2.181  0.00  0.00    -0.015 C 
ATOM     33  C   LIG    1       -3.759   0.209  -2.602  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -5.817  -1.177  -2.226  0.00  0.00    +0.007 C 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH   1  26
TORSDOF 7