REMARK  Name = BDB006630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.278  -0.761   0.689  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.629  -0.834  -0.498  0.00  0.00    +0.149 C 
ATOM      3  C   LIG    1       -1.790  -1.572   0.035  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.576  -1.902   1.368  0.00  0.00    +0.157 A 
ATOM      5  N   LIG    1       -2.578  -2.586   1.915  0.00  0.00    -0.163 NA
ATOM      6  N   LIG    1       -3.456  -2.691   0.880  0.00  0.00    -0.235 N 
ATOM      7  C   LIG    1       -4.707  -3.380   1.087  0.00  0.00    +0.176 C 
ATOM      8  C   LIG    1       -3.024  -2.072  -0.281  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -0.297  -1.409   1.829  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.159  -1.548   2.952  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.882   1.390  -1.991  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        3.302   0.884  -0.709  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.144   1.045   0.516  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.246   1.581   0.438  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        3.589   0.551   1.691  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        4.341   0.663   2.933  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        2.333  -0.035   1.738  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.550  -0.182   0.651  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.094   0.302  -0.612  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -1.179   0.493  -0.987  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.352   0.699  -2.369  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.862   1.907  -2.854  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.207   2.920  -1.964  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.835   4.405  -2.563  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.047   2.738  -0.593  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.537   1.531  -0.106  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   8  27
ATOM     27  O   LIG    1       -3.765  -2.040  -1.381  0.00  0.00    -0.492 OA
ATOM     28  H   LIG    1       -3.347  -1.428  -2.012  0.00  0.00    +0.294 HD
ENDBRANCH   8  27
TORSDOF 3