REMARK  Name = BDB014898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.815   3.944  -2.448  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.342   3.691  -2.253  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.977   2.674  -1.379  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.527   2.524  -1.144  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.228   1.214  -0.508  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.995   0.577  -0.218  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.206  -0.601   0.379  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.542  -0.731   0.466  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.196   0.349  -0.046  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.656   0.589  -0.136  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.894   2.096  -0.373  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.512   4.366  -2.864  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.139  -1.922   1.051  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.402  -1.744   2.542  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.496  -2.593   3.267  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.554  -3.131   2.331  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.276  -3.171   1.002  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.199   1.139  -0.522  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1        0.201   2.045  -0.984  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.525   0.684  -0.335  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.581   1.513  -0.741  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.299   2.703  -1.296  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.917   1.146  -0.590  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.245  -0.091  -0.020  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.205  -0.939   0.403  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1        1.862  -0.544   0.242  0.00  0.00    +0.045 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.651  -0.428   0.115  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.235  -1.599  -0.318  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.562  -1.500  -0.011  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.584  -2.493  -0.238  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.894  -0.324   0.552  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.730   0.326   0.630  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
BRANCH  25  33
ATOM     33  C   LIG    1        3.454  -2.212   1.023  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        3.633  -3.251   1.508  0.00  0.00    -0.191 NA
ENDBRANCH  25  33
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5