REMARK  Name = BDB022022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.640   0.104  -1.288  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.632   0.804  -0.620  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.514   0.882   0.839  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.068   0.715   1.286  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        0.829   1.806   0.687  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.354   2.297  -0.691  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -0.512   1.279  -1.423  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.545  -0.233  -2.466  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -7.524  -1.336   1.450  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.240  -0.962   0.769  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -5.785   0.363   0.795  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.610   0.721   0.132  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.879  -0.252  -0.558  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.346  -1.567  -0.624  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.522  -1.920   0.040  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1        2.299   1.384   0.669  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        2.578   0.305  -0.148  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        1.794  -0.136  -0.610  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        3.115   1.999   1.350  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.833  -0.291  -0.390  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.038   0.160   0.157  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        6.262  -0.484  -0.129  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        6.255  -1.594  -0.979  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        7.696  -2.450  -1.389  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.056  -2.050  -1.531  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        3.854  -1.402  -1.239  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  C   LIG    1        7.540   0.030   0.479  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1        8.162  -0.893   1.265  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.454   0.417  -0.455  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.361   1.120   1.279  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  17  20
ENDBRANCH   5  16
TORSDOF 4