REMARK  Name = BDB042714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.522  -0.626   0.335  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.640  -0.525  -0.839  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -0.693  -1.313  -0.712  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -1.121  -1.461   0.689  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -0.081  -2.178   1.459  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1        1.382  -1.925   0.990  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.639   0.252   0.174  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        4.931   0.211   1.476  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1        3.599   0.089   1.433  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1        2.866  -0.076   0.124  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1        3.802  -0.702  -0.972  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        3.988  -2.218  -0.915  0.00  0.00    +0.034 C 
ATOM     13  N   LIG    1        5.163  -0.105  -0.973  0.00  0.00    -0.274 NA
BRANCH   7  17
ATOM     14  C   LIG    1        6.545   2.548  -1.442  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.393   1.899  -0.472  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.381   2.118  -0.464  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.070   0.775   0.249  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.880   0.206   0.971  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -2.424  -2.123   0.822  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.576  -1.243   0.395  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.584  -1.747  -0.432  0.00  0.00    +0.165 A 
ATOM     22  F   LIG    1       -4.515  -3.014  -0.866  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -5.663  -0.953  -0.817  0.00  0.00    +0.186 A 
ATOM     24  F   LIG    1       -6.604  -1.479  -1.618  0.00  0.00    -0.200 F 
ATOM     25  C   LIG    1       -5.773   0.370  -0.380  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -4.766   0.872   0.461  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1       -4.850   2.192   0.915  0.00  0.00    -0.319 N 
ATOM     28  H   LIG    1       -4.139   2.585   1.517  0.00  0.00    +0.169 HD
ATOM     29  C   LIG    1       -5.890   3.013   0.559  0.00  0.00    +0.270 A 
ATOM     30  C   LIG    1       -6.940   2.387  -0.354  0.00  0.00    +0.103 A 
ATOM     31  C   LIG    1       -8.089   3.265  -0.753  0.00  0.00    +0.071 C 
ATOM     32  O   LIG    1       -5.995   4.170   0.933  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.872   1.160  -0.781  0.00  0.00    -0.242 NA
ATOM     34  C   LIG    1       -3.684   0.080   0.852  0.00  0.00    +0.035 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4