REMARK  Name = BDB021604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.451  -1.640  -2.342  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1       -0.623  -1.245  -1.121  0.00  0.00    +0.188 C 
ATOM      3  O   LIG    1        0.720  -1.594  -1.427  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1        1.705  -1.283  -0.537  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1        1.616  -0.864   0.795  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.827  -0.602   1.481  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.081  -0.757   0.881  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.155  -1.181  -0.434  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.390  -0.656   1.632  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.498   0.036   2.648  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.833  -1.235   1.317  0.00  0.00    -0.291 N 
ATOM     12  C   LIG    1        2.975  -1.446  -1.127  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -1.088  -2.009   0.111  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   8  14
ATOM     14  O   LIG    1        5.312  -1.384  -1.141  0.00  0.00    -0.486 OA
BRANCH  14  15
ATOM     15  C   LIG    1        6.563  -0.901  -0.594  0.00  0.00    +0.201 C 
ATOM     16  C   LIG    1        6.824   0.628  -0.620  0.00  0.00    +0.130 C 
ATOM     17  N   LIG    1        7.660   0.441  -1.813  0.00  0.00    -0.293 NA
ATOM     18  C   LIG    1        7.785  -0.997  -1.544  0.00  0.00    +0.130 C 
BRANCH  17  19
ATOM     19  C   LIG    1        8.928   1.177  -1.787  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  C   LIG    1        9.888   1.062  -0.598  0.00  0.00    +0.228 C 
ATOM     21  F   LIG    1       10.973   1.852  -0.841  0.00  0.00    -0.248 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  15
ENDBRANCH   8  14
BRANCH  11  22
ATOM     22  C   LIG    1       -1.931  -1.099   2.280  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.608   0.285   2.289  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.449   0.411   3.447  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -2.855   0.404   4.219  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.410   0.616   1.006  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.343  -0.418   0.503  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -4.939  -0.011  -0.787  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.059   1.004  -0.695  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.785   1.173   0.497  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.839   2.096   0.545  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.187   2.828  -0.589  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.482   2.648  -1.777  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.392   0.414   1.740  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -6.426   1.739  -1.832  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -5.432  -0.747   1.440  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 9