REMARK  Name = BDB050682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.953   1.124  -1.260  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.803   0.531  -2.083  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.553   0.771  -1.426  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        0.771   2.199  -1.249  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1       -0.365   3.077  -0.994  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -1.507   2.287  -0.364  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.038   2.623  -0.899  0.00  0.00    +0.219 A 
ATOM      8  N   LIG    1        3.022   1.712  -0.814  0.00  0.00    -0.199 NA
ATOM      9  C   LIG    1        4.261   2.111  -0.479  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        4.544   3.439  -0.240  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        3.494   4.311  -0.354  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        2.248   3.927  -0.672  0.00  0.00    -0.223 NA
BRANCH   9  13
ATOM     13  N   LIG    1        5.329   1.184  -0.374  0.00  0.00    -0.299 N 
ATOM     14  H   LIG    1        5.813   1.326   0.505  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        5.353  -0.169  -0.779  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        6.251  -1.052  -0.155  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        6.347  -2.387  -0.560  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        5.561  -2.841  -1.610  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        5.653  -4.118  -2.000  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        4.691  -1.983  -2.267  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        4.598  -0.649  -1.859  0.00  0.00    +0.026 A 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1       -3.917   0.230  -0.033  0.00  0.00    +0.244 C 
ATOM     23  N   LIG    1       -2.610   0.094  -0.456  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1       -2.067  -0.704  -0.157  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -4.644   1.158  -0.370  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -5.514  -2.844   2.511  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -4.157  -2.528   2.583  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -3.620  -1.527   1.762  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -4.440  -0.842   0.857  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -5.803  -1.146   0.799  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1       -6.333  -2.145   1.619  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.375  -4.531   4.182  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -6.160  -3.794   3.252  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 6