REMARK  Name = BDB021703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.138   0.660   0.143  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.658  -0.605   0.458  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.030  -0.620   0.607  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.515   0.112   0.107  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.949  -1.600   0.566  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.831  -1.682   1.071  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.213  -1.571   0.886  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -6.062  -2.580   1.336  0.00  0.00    +0.143 A 
ATOM      9  F   LIG    1       -7.382  -2.442   1.139  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -5.554  -3.705   1.979  0.00  0.00    +0.076 A 
ATOM     11 CL   LIG    1       -6.602  -4.949   2.538  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.181  -3.819   2.178  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -3.322  -2.808   1.728  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.108   0.033  -0.592  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.680   0.854   0.557  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.231   0.591   0.972  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.290   0.804  -0.211  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.737  -0.065  -1.388  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.200   0.222  -1.738  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.534   0.281  -0.947  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.986  -0.499  -2.197  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.522  -0.034   0.210  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.422  -1.683   1.890  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.435  -1.465   0.753  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.822   1.887   0.573  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.858   2.390  -0.408  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.044   2.967   0.074  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.014   3.445  -0.809  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.806   3.362  -2.184  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.627   2.808  -2.676  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.656   2.330  -1.794  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7