REMARK  Name = BDB018951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.028  -2.307  -0.171  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1       -0.994  -1.331  -0.321  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.357  -1.694  -0.322  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.365  -0.724  -0.487  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.062   0.637  -0.628  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.721   1.032  -0.608  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.786  -3.132  -0.202  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.698  -3.965   0.441  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.721   0.041  -0.475  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.380  -3.715  -0.276  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.050   0.377   0.420  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        3.264  -0.787   0.177  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1        4.118  -1.845  -0.080  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1        3.578  -3.077  -0.368  0.00  0.00    +0.142 A 
ATOM     15  N   LIG    1        2.235  -3.196  -0.394  0.00  0.00    -0.220 NA
ATOM     16  C   LIG    1        1.436  -2.132  -0.132  0.00  0.00    +0.223 A 
ATOM     17  N   LIG    1        5.399  -1.369   0.018  0.00  0.00    -0.347 N 
ATOM     18  C   LIG    1        6.597  -2.154  -0.186  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1        1.928  -0.932   0.177  0.00  0.00    -0.212 NA
ATOM     20  C   LIG    1        5.377  -0.030   0.322  0.00  0.00    +0.101 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.084   3.890   1.705  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.472   2.572   1.274  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        5.304   2.163   1.673  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.553   1.725   0.683  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        2.412   2.085   0.410  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -4.156   1.571  -0.805  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.192   1.734   0.090  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.004   2.692  -0.442  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.209   3.229   0.140  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.593   3.140  -1.642  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.456   2.470  -1.852  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.286   2.471  -0.731  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.454   2.960  -1.993  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.968   3.316   0.095  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4