REMARK  Name = BDB055875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.878   2.286   0.859  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.402   2.396   0.025  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -0.913   3.509  -0.143  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.957   1.237  -0.480  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.250  -0.055  -0.430  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.277   0.199  -0.568  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.777   1.070   0.589  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.667  -0.937   0.746  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.092  -0.423   1.982  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.459  -1.274   3.029  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.411  -2.653   2.854  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.863  -3.697   4.143  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.005  -3.189   1.637  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.641  -2.337   0.591  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.101  -1.052  -0.836  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.679  -1.819   0.188  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.405  -2.974  -0.113  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.090  -3.906   1.162  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.570  -3.384  -1.432  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.003  -2.635  -2.460  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.273  -1.481  -2.164  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.655   3.610   0.797  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.210   3.703  -1.040  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        2.098   3.958  -0.604  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.145   4.552  -1.353  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        0.261   4.592  -0.913  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.206   1.310  -1.239  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.359   0.812  -0.425  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.668   0.488  -1.102  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.830  -0.617  -0.524  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7