REMARK  Name = BDB012525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.066   1.337  -0.996  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.764   0.135  -0.249  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        0.527  -0.384  -0.042  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.865  -0.029  -0.396  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -1.593  -1.191   0.230  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.691  -2.077   0.896  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -0.907  -3.112   1.504  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.620  -1.525   0.694  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.967  -1.744   0.987  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        2.675  -0.695   0.401  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.973  -1.382   0.097  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.732  -0.637  -0.733  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.100  -0.817  -0.878  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.818   0.045  -1.806  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.808  -1.798  -0.178  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.016  -1.984  -0.304  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.982  -2.620   0.757  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.773  -3.830   1.695  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.663  -2.406   0.868  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH  10  20
ATOM     20  C   LIG    1        4.062  -0.392   0.390  0.00  0.00    +0.068 A 
ATOM     21  N   LIG    1        4.906  -0.927  -0.581  0.00  0.00    -0.310 N 
ATOM     22  C   LIG    1        4.390  -1.850  -1.584  0.00  0.00    +0.152 C 
ATOM     23  C   LIG    1        6.272  -0.635  -0.606  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        7.071  -1.063  -1.436  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        6.775   0.273   0.460  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        5.939   0.763   1.381  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.542   0.420   1.347  0.00  0.00    +0.028 A 
ENDBRANCH  10  20
BRANCH   4  28
ATOM     28  C   LIG    1       -1.274   1.326   0.158  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -1.485   2.404  -0.720  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -1.850   3.662  -0.232  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -2.003   3.855   1.139  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -2.450   5.404   1.738  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -1.793   2.803   2.026  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -1.427   1.546   1.539  0.00  0.00    +0.007 A 
ENDBRANCH   4  28
TORSDOF 3