REMARK  Name = BDB054155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.408  -1.045  -0.533  0.00  0.00    +0.182 C 
ATOM      2  C   LIG    1        0.873  -2.353  -0.056  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -0.481  -2.599   0.046  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -0.564  -3.913   0.481  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.649  -4.416   0.580  0.00  0.00    -0.134 NA
ATOM      6  C   LIG    1       -1.796  -4.627   0.890  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -1.510  -1.687  -0.304  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -1.348  -0.300  -0.129  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -2.347   0.572  -0.596  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -3.510   0.087  -1.196  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1       -3.678  -1.286  -1.341  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -0.194   0.308   0.609  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1       -2.683  -2.169  -0.905  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1        1.548  -3.442   0.250  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1        1.044  -0.018   0.446  0.00  0.00    -0.271 NA
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1       -0.475   1.369   1.629  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.417   2.444   1.747  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        0.188   3.444   2.695  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.926   3.363   3.530  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -1.210   4.593   4.698  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.810   2.289   3.428  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.584   1.287   2.480  0.00  0.00    +0.011 A 
ENDBRANCH  12  16
BRANCH  10  23
ATOM     23  O   LIG    1       -4.395   1.052  -1.587  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -5.569   0.620  -2.264  0.00  0.00    +0.277 C 
ENDBRANCH  10  23
BRANCH   1  25
ATOM     25  C   LIG    1        2.934  -1.073  -0.637  0.00  0.00    +0.130 C 
BRANCH  25  28
ATOM     26  N   LIG    1        4.780   0.411  -1.113  0.00  0.00    -0.315 N 
ATOM     27  H   LIG    1        5.223  -0.066  -0.338  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        3.458   0.128  -1.395  0.00  0.00    +0.215 C 
ATOM     29  O   LIG    1        2.803   0.749  -2.226  0.00  0.00    -0.276 OA
BRANCH  26  31
ATOM     30  C   LIG    1        5.149   2.830  -0.925  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1        5.454   1.554  -1.690  0.00  0.00    +0.101 C 
ENDBRANCH  26  31
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 5