REMARK  Name = BDB008523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.115  -0.589  -0.215  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.169   0.172   0.125  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.381  -0.408   0.185  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.554  -1.754  -0.047  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.426  -2.458  -0.378  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.210  -1.899  -0.474  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.100   0.089  -0.268  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.938   1.063  -0.061  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        4.752   0.410  -0.869  0.00  0.00    -0.045 A 
ATOM     10  C   LIG    1        3.420   0.693  -0.524  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.398  -0.265  -0.653  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.756  -1.532  -1.120  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.077  -1.830  -1.467  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        5.072  -0.864  -1.343  0.00  0.00    +0.004 A 
BRANCH   9  15
ATOM     15  C   LIG    1        5.828   1.456  -0.695  0.00  0.00    +0.044 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.414   1.449   0.716  0.00  0.00    +0.100 C 
BRANCH  16  20
ATOM     17  N   LIG    1        7.513  -0.096   2.227  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1        6.768   0.062   2.892  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.097  -0.909   2.375  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        7.395   0.317   0.931  0.00  0.00    +0.211 C 
ATOM     21  O   LIG    1        8.098  -0.171   0.054  0.00  0.00    -0.276 OA
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1       -3.441   0.427   0.560  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1       -3.065   1.355   0.736  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.785   0.461   0.146  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -5.697   1.193   0.922  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -7.060   1.265   0.584  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1       -7.513   0.577  -0.548  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.618  -0.150  -1.331  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.266  -0.207  -0.984  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -8.020   2.037   1.454  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -9.108   2.495   0.775  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.453   3.134   2.029  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.507   1.286   2.480  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 8