REMARK  Name = BDB058750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.752   0.870  -2.577  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.009   0.007  -1.616  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        0.245  -0.101  -0.210  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.679  -1.011   0.307  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.717  -1.331   1.675  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        0.208  -0.718   2.527  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.153   0.184   2.035  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1       -1.458  -1.445  -0.753  0.00  0.00    -0.339 N 
ATOM      9  C   LIG    1        1.169   0.508   0.670  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -1.043  -0.842  -1.926  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.686  -1.103  -3.247  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.108   0.798   3.001  0.00  0.00    +0.244 C 
ATOM     13  N   LIG    1        3.296   1.251   2.486  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        3.594   1.018   1.546  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        1.835   0.858   4.196  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        4.337   1.776   3.342  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.557   2.193   2.548  0.00  0.00    +0.058 A 
ATOM     18  N   LIG    1        5.620   1.825   1.237  0.00  0.00    -0.258 NA
ATOM     19  C   LIG    1        6.724   2.187   0.546  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        7.778   2.897   1.095  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        7.702   3.259   2.434  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        6.579   2.902   3.175  0.00  0.00    +0.025 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   7  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.530  -2.435  -0.644  0.00  0.00    +0.157 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.911  -1.822  -0.706  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -4.867  -2.337  -1.598  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -6.164  -1.800  -1.665  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -6.508  -0.747  -0.807  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.572  -0.236   0.091  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.285  -0.772   0.144  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.175  -2.375  -2.627  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -8.224  -1.543  -2.877  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -6.636  -2.670  -3.843  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -7.720  -3.537  -2.170  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6