REMARK  Name = BDB021589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.364  -1.022   0.324  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.713  -0.251  -0.641  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.410   0.246  -0.433  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        2.013   0.978  -1.514  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.861   1.793  -1.402  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.373   0.958  -1.141  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.596   0.847   0.289  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.337   0.319   1.174  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.024   0.129   2.353  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.728  -0.066   0.753  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.406  -0.873   1.704  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.701  -1.353   1.496  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        5.902  -2.759   0.266  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        5.723  -1.557   0.081  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        6.724  -0.687  -0.372  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1        8.017  -1.300  -0.673  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1        8.833  -0.456  -1.641  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        8.947   0.973  -1.140  0.00  0.00    +0.169 C 
ATOM     19  F   LIG    1        9.588   1.718  -2.081  0.00  0.00    -0.245 F 
ATOM     20  C   LIG    1        7.573   1.575  -0.896  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1        6.776   0.711   0.068  0.00  0.00    +0.111 C 
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -1.986   0.989   0.759  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.780  -0.324   0.635  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.016  -0.632  -0.749  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.602  -1.410  -0.771  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -4.103  -0.287   1.441  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.971   0.894   1.242  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.543   1.002  -0.112  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.631  -0.005  -0.415  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.412  -0.547   0.623  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.445  -1.444   0.319  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.712  -1.787  -1.006  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.949  -1.241  -2.036  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.097  -0.220   2.063  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -6.916  -0.350  -1.743  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -6.079   0.924   2.217  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6