REMARK  Name = BDB060720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.410  -1.089  -0.559  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.079  -2.454  -0.737  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        1.299  -2.703  -0.776  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.752  -4.005  -0.932  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.876  -5.081  -1.060  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.494  -4.860  -1.035  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        2.226  -1.751  -0.668  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.810  -0.492  -0.538  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -0.985  -3.561  -0.874  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        0.535  -0.134  -0.474  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.769  -0.718  -0.409  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -2.366  -1.402  -0.861  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -3.910   1.982   0.296  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -2.690   2.391   0.754  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -2.448   3.274   1.191  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -1.720   1.484   0.593  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -2.312   0.457  -0.022  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -3.694   0.720  -0.210  0.00  0.00    +0.068 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -5.279   3.730  -0.827  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -5.130   2.825   0.387  0.00  0.00    +0.051 C 
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  21
ATOM     21  N   LIG    1        2.720   0.550  -0.424  0.00  0.00    -0.308 N 
ATOM     22  H   LIG    1        2.153   1.337  -0.124  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.837   0.221   0.448  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.578   1.477   0.879  0.00  0.00    +0.058 A 
ATOM     25  N   LIG    1        5.842   1.664   0.413  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        6.486   2.792   0.799  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1        5.931   3.741   1.637  0.00  0.00    +0.141 A 
ATOM     28  F   LIG    1        6.620   4.834   1.985  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        4.647   3.542   2.117  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        3.956   2.394   1.735  0.00  0.00    +0.028 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   9  31
ATOM     31  O   LIG    1       -2.329  -3.260  -0.877  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -3.245  -4.345  -0.758  0.00  0.00    +0.277 C 
ENDBRANCH   9  31
TORSDOF 7