REMARK  Name = BDB065427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.438   2.910  -0.709  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.776   1.654  -0.461  0.00  0.00    +0.115 A 
ATOM      3  C   LIG    1       -1.154   0.368  -0.155  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1       -0.061  -0.466  -0.129  0.00  0.00    -0.229 NA
ATOM      5  C   LIG    1        0.991   0.310  -0.318  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.601   1.625  -0.475  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        1.319   2.800  -0.617  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.635   3.945  -0.762  0.00  0.00    +0.131 A 
ATOM      9  N   LIG    1       -0.742   4.017  -0.829  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -2.572  -0.159   0.167  0.00  0.00    +0.068 A 
ATOM     11  N   LIG    1       -3.700   0.596   0.331  0.00  0.00    -0.352 N 
ATOM     12  H   LIG    1       -3.730   1.607   0.282  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -4.781  -0.210   0.608  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.309  -1.523   0.655  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.219  -2.561   0.936  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -6.567  -2.253   1.158  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.014  -0.933   1.104  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -6.125   0.109   0.829  0.00  0.00    +0.065 A 
ATOM     19 CL   LIG    1       -6.679   1.733   0.759  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1       -2.913  -1.475   0.388  0.00  0.00    +0.037 A 
ENDBRANCH   3  10
BRANCH   5  21
ATOM     21  C   LIG    1        2.424  -0.137  -0.331  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1        2.563  -1.577  -0.833  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        4.032  -1.977  -1.001  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        4.967  -1.390   0.068  0.00  0.00    +0.098 C 
ATOM     25  C   LIG    1        4.218  -0.948   1.329  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        3.046   0.006   1.067  0.00  0.00    +0.012 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.800  -0.255  -0.515  0.00  0.00    +0.308 C 
ATOM     28  O   LIG    1        5.567   0.935  -0.364  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.838  -0.692  -1.264  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        6.911  -1.663  -1.320  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH   5  21
BRANCH   1  31
ATOM     31  N   LIG    1       -2.791   3.041  -0.886  0.00  0.00    -0.341 N 
ATOM     32  H   LIG    1       -3.126   2.423  -1.622  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -2.983   4.003  -1.159  0.00  0.00    +0.144 HD
ENDBRANCH   1  31
TORSDOF 5