REMARK  Name = BDB019887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -0.861  -0.947  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.338   0.295  -0.157  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.842   1.024   0.021  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.011   0.606  -0.629  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.037  -0.562  -1.407  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.843  -1.278  -1.577  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.851   2.209   0.873  0.00  0.00    +0.069 A 
ATOM      8  N   LIG    1       -1.707   2.419   1.935  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -2.721   1.525   2.451  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1       -1.512   3.603   2.554  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -0.495   4.149   1.888  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -0.038   3.327   0.845  0.00  0.00    +0.049 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     13  N   LIG    1        2.476  -1.691  -0.131  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.285  -1.203   0.732  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        1.571  -1.663  -1.167  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        1.721  -2.267  -2.222  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.760  -2.342  -0.254  0.00  0.00    +0.139 C 
BRANCH  17  24
ATOM     18  C   LIG    1        7.438   0.465   1.754  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        6.629   0.063   0.552  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        6.844   0.636  -0.711  0.00  0.00    +0.044 A 
ATOM     21 CL   LIG    1        8.054   1.843  -0.961  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        6.074   0.246  -1.808  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.082  -0.723  -1.660  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.853  -1.316  -0.412  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.625  -0.912   0.688  0.00  0.00    +0.010 A 
ENDBRANCH  17  24
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.303  -1.036  -2.092  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.504  -0.720  -1.342  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -4.838  -1.231  -0.080  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -4.177  -2.020   0.689  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -3.291  -2.260   0.242  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -6.093  -0.679   0.191  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -6.882  -1.045   1.340  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -6.519   0.082  -0.886  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -5.553   0.064  -1.815  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6