REMARK  Name = BDB014742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.058   1.208   0.055  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.116   2.216  -0.020  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.079   4.302  -1.292  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.618   4.052  -1.021  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.251   2.771  -0.626  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.827   2.595  -0.280  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.470   1.153  -0.223  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.214   0.509  -0.065  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.374  -0.819  -0.049  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.690  -1.030  -0.225  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.393   0.132  -0.304  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.851   0.325  -0.479  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.209   1.777  -0.094  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -3.798   4.960  -1.159  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.195  -2.378  -0.301  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.035  -3.174   0.980  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -3.126  -4.561   0.604  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.913  -4.656  -0.813  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.507  -3.282  -1.305  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.282   0.787   0.217  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.674  -0.551   0.305  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.020  -0.906   0.475  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.008   0.077   0.562  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        3.632   1.419   0.483  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.286   1.766   0.313  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.399  -0.291   0.735  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.570   0.073   0.004  0.00  0.00    +0.173 A 
ATOM     28  N   LIG    1        7.667  -0.503   0.545  0.00  0.00    -0.167 NA
ATOM     29  N   LIG    1        7.195  -1.220   1.577  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1        8.113  -1.981   2.390  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1        5.846  -1.130   1.733  0.00  0.00    +0.117 A 
BRANCH  27  32
ATOM     32  C   LIG    1        6.636   0.961  -1.209  0.00  0.00    +0.437 C 
ATOM     33  F   LIG    1        5.703   0.626  -2.143  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        7.839   0.925  -1.845  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        6.410   2.267  -0.892  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 5