REMARK  Name = BDB025484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.692   0.266   0.703  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -2.239   0.569   0.598  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.543  -0.501  -0.166  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.055  -1.743  -0.469  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.042  -2.384  -1.188  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.041  -1.626  -1.311  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.425  -2.129  -0.058  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.258  -0.460  -0.667  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.687   0.582  -0.562  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.378   1.604   0.045  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.935  -1.160   1.040  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.041   0.324  -1.216  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.085  -0.085  -0.190  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.088   0.815   0.216  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.055   0.383   1.135  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.003  -0.895   1.693  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.994  -1.770   1.308  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.928  -3.351   1.983  0.00  0.00    -0.084 Cl
ATOM     19  N   LIG    1        4.247   2.069  -0.387  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        4.705   2.737   0.229  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.083   2.621  -1.061  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.044  -1.376   0.369  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.473   1.581  -1.989  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  N   LIG    1       -1.134  -3.618  -1.690  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -0.273  -4.054  -2.002  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.818  -4.274  -1.336  0.00  0.00    +0.144 HD
ENDBRANCH   5  24
BRANCH   1  28
ATOM     27  C   LIG    1       -4.335   2.612   1.287  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.355   1.140   1.683  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3