REMARK  Name = BDB061204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.469  -0.046  -0.283  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -1.937  -1.112   0.448  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.551  -1.294   0.471  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.016  -2.452   1.186  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -0.738  -3.292   1.858  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1       -2.078  -3.076   1.880  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1       -2.635  -3.735   2.416  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1        0.295  -0.402  -0.195  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.216   0.629  -0.897  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.756  -2.066   1.235  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -3.973  -1.981   1.341  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -1.562   0.782  -0.932  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -4.214   2.464   0.934  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -4.647   1.345   0.062  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -3.875   0.257  -0.425  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -4.747  -0.476  -1.200  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -5.955   0.147  -1.093  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.204  -0.278  -1.673  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -5.911   1.287  -0.379  0.00  0.00    -0.176 NA
ENDBRANCH   1  15
BRANCH   8  20
ATOM     20  N   LIG    1        1.687  -0.565  -0.162  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.021  -0.577   0.797  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.445   0.379  -0.980  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.914   0.120  -0.793  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.636   0.640   0.278  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.193   1.479   1.418  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.558   1.887   1.972  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.544   0.916   1.556  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.984   0.342   0.444  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.671  -0.479  -0.427  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.971  -1.004  -1.512  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.612  -0.706  -1.685  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.975  -1.236  -2.739  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4