REMARK  Name = BDB028392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.372   1.676   0.073  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.012   0.488  -0.312  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.260   0.150   0.225  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.875   1.012   1.129  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.190   0.653   1.681  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.723  -0.537   1.248  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.630  -0.801   1.619  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.142  -1.407   0.378  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.768   1.382   2.480  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.253   2.208   1.506  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.975  -1.104  -0.117  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.003   2.537   0.979  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.421   1.575  -1.295  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -3.046   1.951  -1.056  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.050   1.197  -0.472  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -0.931   2.022  -0.463  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -1.367   3.229  -1.050  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.648   3.189  -1.414  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.245  -0.160   0.047  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.342  -1.289  -0.785  0.00  0.00    +0.050 A 
ATOM     21 CL   LIG    1       -2.229  -1.170  -2.507  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -2.511  -2.562  -0.233  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.581  -2.723   1.151  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.481  -1.612   1.985  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.313  -0.339   1.437  0.00  0.00    +0.011 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1        2.306  -2.082  -1.089  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.130  -3.282  -1.280  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        3.325  -3.671  -0.354  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        4.053  -2.973  -1.596  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4