REMARK  Name = BDB035929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.616  -0.060  -0.747  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        2.146  -0.286  -2.138  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1        2.006   1.051  -2.869  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1        0.819  -1.105  -2.155  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1       -0.299  -0.629  -1.316  0.00  0.00    -0.293 NA
ATOM      6  C   LIG    1        0.185   0.208  -0.198  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        1.589  -0.181   0.312  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.659  -0.496   0.311  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.715  -0.645   1.266  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.420  -0.496   0.877  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.962  -0.214  -0.418  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.988  -0.061  -1.358  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.335  -0.204  -1.006  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        7.722  -1.059   3.156  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.521  -0.908   1.965  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        9.526  -0.986   2.052  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.109  -0.651   0.676  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.974  -0.547  -0.196  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.331   0.068  -2.106  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.594   0.384  -1.321  0.00  0.00    +0.056 A 
ATOM     21  N   LIG    1       -2.893   1.685  -1.107  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1       -4.018   1.957  -0.401  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1       -4.897   1.003   0.123  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.123   1.351   0.890  0.00  0.00    -0.027 C 
ATOM     25  C   LIG    1       -6.822   0.399   1.555  0.00  0.00    +0.101 C 
ATOM     26  C   LIG    1       -6.463  -1.040   1.405  0.00  0.00    +0.172 C 
ATOM     27  C   LIG    1       -5.387  -1.452   0.436  0.00  0.00    +0.115 C 
ATOM     28  O   LIG    1       -7.078  -1.907   2.026  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -6.530   2.807   0.874  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -4.547  -0.331  -0.091  0.00  0.00    -0.029 A 
ATOM     31  C   LIG    1       -3.393  -0.642  -0.828  0.00  0.00    +0.029 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.989   0.577   2.479  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -7.806  -0.026   3.683  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.239   1.880   2.783  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -9.140   0.094   1.944  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5