REMARK  Name = BDB027537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.678  -0.114   1.576  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.005   1.045   1.263  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.355   1.271   1.768  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.982   2.278   0.791  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.758   3.083   0.338  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.355   2.045   0.267  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.223  -0.994   2.302  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.538  -0.802  -0.146  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.471  -1.677  -0.395  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.212  -1.446   0.167  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.011  -0.327   0.976  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.072   0.535   1.256  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.329   0.301   0.687  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.945  -0.379  -0.681  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.774  -1.107  -0.756  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.788  -1.951  -1.311  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.126   0.675  -0.088  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.261  -0.464  -1.510  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.049  -1.029  -1.447  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.581   1.630  -0.377  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.990   0.950  -0.845  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.775   0.965  -0.138  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.978  -0.129  -0.884  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.109  -0.822  -0.695  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -6.068  -0.442   0.250  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.252  -1.184   0.433  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -7.476  -2.320  -0.339  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.523  -2.695  -1.275  0.00  0.00    +0.125 A 
ATOM     29  F   LIG    1       -6.732  -3.787  -2.023  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.756   0.699   0.969  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.356  -1.957  -1.452  0.00  0.00    +0.066 A 
ATOM     32  N   LIG    1       -4.625   1.408   0.795  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5