REMARK  Name = BDB021739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.060   0.044  -1.427  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.993  -0.787  -0.800  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.278  -0.686  -1.289  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.341  -0.476  -2.273  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.679  -1.567   0.096  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.446  -1.214  -0.701  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.521  -1.609   0.639  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -5.718  -2.107   1.183  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -6.848  -2.211   0.361  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -6.779  -1.802  -0.969  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1       -8.176  -1.917  -1.968  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -5.591  -1.301  -1.499  0.00  0.00    +0.043 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.769  -2.554   2.623  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.313  -3.825   2.790  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.031  -2.541   3.138  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.027  -1.770   3.453  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.906  -0.730  -0.089  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.175   0.293   0.674  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.662   0.297   0.411  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.369  -0.074  -1.047  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.968  -1.448  -1.406  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.066  -1.878  -0.428  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.228  -1.101   0.459  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.166  -1.820   1.815  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.158   0.136   0.502  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.512   1.019   0.701  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.621  -0.210   0.800  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.414   1.226  -2.225  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.386   2.510  -1.429  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.343   2.756  -0.433  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.311   3.941   0.304  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.325   4.893   0.053  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.369   4.661  -0.933  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.399   3.477  -1.671  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8