REMARK  Name = BDB062923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.097   2.845  -1.067  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.160   2.124  -1.336  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.085   0.741  -1.551  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.155   0.231  -2.181  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.724   2.813  -2.489  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.530   3.236  -3.352  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.693   3.149  -2.436  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.140  -0.104  -0.800  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.576  -1.254  -1.745  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.916  -1.746  -1.205  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.506  -0.568  -0.435  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.516   0.580  -0.622  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -1.529  -0.551   0.543  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.979  -1.830   0.739  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -0.365  -2.174   1.948  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.307  -3.748   2.142  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.277  -1.255   2.986  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.806   0.019   2.814  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.422   0.366   1.607  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        1.639   1.067  -0.336  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.291   0.628  -1.189  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        1.076   2.284  -0.009  0.00  0.00    +0.238 C 
ATOM     23  O   LIG    1        1.297   2.930   1.016  0.00  0.00    -0.273 OA
BRANCH  20  27
ATOM     24  C   LIG    1        4.026  -1.535   1.982  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        3.772  -0.243   2.443  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.997   0.650   1.692  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        2.467   0.257   0.466  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        2.744  -1.031  -0.006  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        3.515  -1.925   0.747  0.00  0.00    +0.047 A 
BRANCH  24  31
ATOM     30  C   LIG    1        4.962  -3.667   2.451  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.775  -2.308   2.825  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5