REMARK  Name = BDB025098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.719  -0.816   0.174  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.765   0.094  -0.316  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.194   1.431  -0.797  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.984   1.324  -2.114  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.054   2.434  -1.032  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.998   2.305   0.041  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.460   0.906  -0.025  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.084   0.632   0.125  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.047   1.508   0.308  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.047   0.780   0.410  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -0.752  -0.565   0.266  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.618  -0.675   0.095  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.480  -1.759  -0.085  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.847  -1.480  -0.225  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.356  -0.174  -0.191  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.492  -1.929   0.637  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.682  -1.703   0.252  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.378  -1.912   1.616  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.881  -2.196   1.557  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -4.295  -3.458   0.957  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -4.359  -4.175   1.681  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.487  -3.970  -0.140  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -3.273  -3.006  -1.307  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -2.603  -1.667  -0.980  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.996  -1.183   0.646  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.989  -0.310   0.131  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.410   1.377   0.638  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -2.438   2.091   1.995  0.00  0.00    +0.017 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -2.741   2.335  -0.517  0.00  0.00    +0.154 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.169   2.563  -0.659  0.00  0.00    -0.269 N 
ATOM     31  N   LIG    1       -4.779   3.517   0.072  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -6.056   3.441  -0.317  0.00  0.00    +0.154 A 
ATOM     33  C   LIG    1       -6.259   2.444  -1.287  0.00  0.00    +0.078 A 
ATOM     34 CL   LIG    1       -7.723   2.036  -2.026  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -5.019   1.892  -1.493  0.00  0.00    +0.128 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 5