REMARK  Name = BDB034452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.166  -1.903  -0.326  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.077  -1.166  -0.551  0.00  0.00    -0.312 NA
ATOM      3  H   LIG    1       -0.926  -0.170  -0.404  0.00  0.00    +0.122 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -2.181  -1.609   0.296  0.00  0.00    +0.120 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -3.743   0.355   0.761  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -3.424  -0.793   0.011  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.257  -1.175  -1.058  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -5.409  -0.444  -1.379  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -5.727   0.678  -0.605  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -4.899   1.078   0.450  0.00  0.00    +0.046 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -6.308  -0.879  -2.510  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -5.650  -1.544  -3.499  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -6.938   0.165  -3.120  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -7.297  -1.715  -2.090  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
BRANCH   5  16
ATOM     15  C   LIG    1       -3.171   1.825   2.553  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -2.864   0.684   1.760  0.00  0.00    -0.495 OA
ENDBRANCH   5  16
ENDBRANCH   4   6
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.813  -1.758   1.060  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.155  -0.323   1.463  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.119   0.281   0.547  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        1.876   1.242   0.318  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.509   0.134   0.690  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.389   0.801  -0.214  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        5.784   0.619  -0.044  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        6.667   1.271  -0.891  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        6.212   2.091  -1.920  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        4.852   2.269  -2.123  0.00  0.00    +0.021 A 
ATOM     27 CL   LIG    1        7.341   2.878  -2.952  0.00  0.00    -0.083 Cl
ATOM     28  N   LIG    1        6.305  -0.171   0.903  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        5.453  -0.834   1.705  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        3.948   1.627  -1.278  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        4.077  -0.726   1.631  0.00  0.00    +0.043 A 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9