REMARK  Name = BDB001625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.224  -1.565  -0.812  0.00  0.00    -0.085 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.856   0.021  -0.516  0.00  0.00    +0.196 A 
ATOM      3  N   LIG    1       -3.165   0.358  -0.208  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -3.108   1.739  -0.021  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -4.275   2.456   0.328  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -5.442   1.818   0.481  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -5.527   0.367   0.282  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -6.761  -0.277   0.441  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -6.862  -1.653   0.249  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.733  -2.388  -0.103  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.495  -1.758  -0.264  0.00  0.00    +0.027 A 
ATOM     12  N   LIG    1       -1.883   2.175  -0.215  0.00  0.00    -0.129 NA
ATOM     13  C   LIG    1       -4.380  -0.379  -0.070  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1       -1.103   1.101  -0.529  0.00  0.00    -0.122 NA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.442  -1.201  -1.455  0.00  0.00    +0.086 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.420  -0.864  -0.335  0.00  0.00    +0.107 C 
BRANCH  16  18
ATOM     17  O   LIG    1        3.123  -0.940  -2.030  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        2.816  -0.628  -0.886  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1        3.652  -0.072   0.070  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        3.232   0.149   0.964  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        5.016   0.260  -0.068  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        5.645   0.843   1.043  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.995   1.199   0.990  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.717   0.972  -0.173  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        9.011   1.313  -0.225  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.113   0.396  -1.282  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.761   0.040  -1.230  0.00  0.00    +0.026 A 
ENDBRANCH  19  21
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5