REMARK  Name = BDB061200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.998   0.321  -0.036  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1        1.287   0.493  -1.233  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.107   0.583  -1.206  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.819   0.711  -2.477  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -0.238   0.792  -3.633  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        1.118   0.743  -3.649  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        1.563   0.801  -4.560  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1       -0.796   0.523   0.008  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.125   0.343   1.162  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        1.944   0.587  -2.559  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        3.158   0.533  -2.703  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        1.226   0.253   1.121  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.417  -2.309  -0.215  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        4.139  -1.015   0.036  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.456   0.211   0.087  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.224   1.360   0.313  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        5.603   1.263   0.477  0.00  0.00    +0.026 A 
ATOM     18  CA  LIG    1        6.199   0.009   0.433  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        5.483  -1.123   0.214  0.00  0.00    -0.254 NA
BRANCH  18  20
ATOM     20  C   LIG    1        7.695  -0.142   0.565  0.00  0.00    +0.211 C 
BRANCH  20  21
ATOM     21  O   LIG    1        8.231   0.735   1.555  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        9.165   0.485   1.658  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  15
BRANCH   8  23
ATOM     23  N   LIG    1       -2.196   0.616   0.051  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -2.499   1.481  -0.392  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.781   0.511   1.387  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.279   0.553   1.268  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.010  -0.484   0.694  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.544  -1.741   0.060  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.881  -2.473  -0.046  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.954  -1.503  -0.029  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.392  -0.409   0.575  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.110   0.685   1.011  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.402   1.735   1.597  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.007   1.662   1.719  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.362   2.699   2.274  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   8  23
TORSDOF 6