REMARK  Name = BDB008514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.033   0.463   0.131  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.096   1.067  -0.276  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.228   0.835   0.412  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.242   0.040   1.535  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.046  -0.529   1.886  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.092  -0.339   1.201  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.157   0.744  -0.642  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.887   1.366  -1.391  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.212  -0.432  -0.651  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.336  -1.008   0.271  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        3.988  -0.628   0.285  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.486   0.313  -0.622  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.384   0.867  -1.552  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.732   0.496  -1.575  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.264  -0.945  -1.734  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.644  -0.802  -0.695  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.198  -0.914   0.530  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        7.629  -0.606   1.261  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.368   1.502  -0.050  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.104   2.083  -0.841  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.725   1.134  -0.079  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -4.180  -0.170   0.140  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -5.554  -0.479   0.135  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -6.481   0.543  -0.108  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.044   1.846  -0.328  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.678   2.136  -0.310  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.010  -1.901   0.347  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -5.232  -2.577   1.239  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -7.283  -1.993   0.822  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -5.984  -2.631  -0.801  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7