REMARK  Name = BDB036229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.192  -0.527  -0.825  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.816  -1.958  -0.733  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.954  -2.235   0.524  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.247  -1.381   0.668  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.169   0.040   0.557  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.032   0.381  -0.682  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.956   0.508   0.683  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.896   1.206   1.138  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.684   0.859   0.645  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.657   1.577   1.127  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.437  -0.171  -0.287  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.587  -0.844  -0.731  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.854  -0.516  -0.247  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.618   1.463   0.706  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.326   0.963   0.307  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.084   1.018  -0.673  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.294   0.897   1.233  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.442   1.146   2.423  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.290  -1.748  -0.307  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.642  -1.102  -0.021  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -3.433  -0.485  -1.025  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -2.956  -0.464  -2.456  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -4.648   0.134  -0.642  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -5.112   0.078   0.691  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -6.321   0.661   1.116  0.00  0.00    -0.207 NA
ATOM     26  C   LIG    1       -7.020   1.297   0.231  0.00  0.00    +0.282 A 
ATOM     27  C   LIG    1       -6.612   1.450  -1.238  0.00  0.00    +0.311 A 
ATOM     28  O   LIG    1       -7.285   2.071  -2.047  0.00  0.00    -0.262 OA
ATOM     29  C   LIG    1       -4.347  -0.582   1.647  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.430   0.836  -1.577  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -5.148   0.949  -2.538  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.130  -1.161   1.299  0.00  0.00    +0.007 A 
BRANCH  26  33
ATOM     33  O   LIG    1       -8.195   1.903   0.491  0.00  0.00    -0.476 OA
ATOM     34  C   LIG    1       -8.658   1.819   1.841  0.00  0.00    +0.279 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5