REMARK  Name = BDB055756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271  -1.511  -0.859  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.526  -2.105   0.154  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.705  -3.489   0.194  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.087  -4.286  -0.778  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.706  -3.714  -1.782  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.882  -2.330  -1.818  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.618   2.197  -2.403  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1       -2.421   1.087  -1.842  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -1.808   0.362  -0.620  0.00  0.00    +0.120 C 
ATOM     10  N   LIG    1       -0.420  -0.103  -0.860  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1        0.245   0.536  -2.022  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -0.174   2.018  -2.112  0.00  0.00    +0.103 C 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.367   3.946  -2.636  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -2.065   3.524  -1.964  0.00  0.00    +0.081 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  N   LIG    1        1.091  -1.206   1.084  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.841  -0.239   0.879  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        1.901  -1.478   2.161  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        2.284  -2.589   2.512  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.275  -0.310   3.006  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        2.626   0.955   2.517  0.00  0.00    +0.053 A 
ATOM     21 CL   LIG    1        2.730   1.333   0.834  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        2.951   1.984   3.411  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.939   1.757   4.788  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.609   0.498   5.281  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.283  -0.530   4.396  0.00  0.00    +0.014 A 
ENDBRANCH  17  19
ENDBRANCH   2  15
BRANCH   4  26
ATOM     26  N   LIG    1        0.265  -5.744  -0.746  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        0.896  -6.234   0.200  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -0.233  -6.403  -1.672  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 5