REMARK  Name = BDB019883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.309  -0.584   0.066  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.229   0.792   0.317  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.239   1.659  -0.127  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.336   1.122  -0.819  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.437  -0.256  -1.070  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.415  -1.103  -0.615  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.159   3.099   0.146  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -0.706   4.024  -0.812  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -0.274   3.613  -2.189  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -0.682   5.369  -0.451  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1       -1.054   5.844   0.758  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -1.476   4.937   1.660  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -1.545   3.578   1.406  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1        2.027  -1.010   0.587  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        2.231  -0.147   0.102  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        0.749  -1.521   0.533  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        0.475  -2.680   0.819  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        3.139  -1.876   0.901  0.00  0.00    +0.139 C 
BRANCH  18  25
ATOM     19  C   LIG    1        7.438  -0.076  -1.015  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1        6.484  -0.179   0.142  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        6.725   0.472   1.361  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1        8.136   1.437   1.607  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.818   0.359   2.418  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.662  -0.407   2.272  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.403  -1.074   1.068  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.315  -0.948   0.008  0.00  0.00    +0.010 A 
ENDBRANCH  18  25
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1       -3.633  -0.824  -1.805  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.473  -1.603  -0.923  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -4.462  -2.999  -0.887  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -3.781  -3.780  -1.647  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -3.969  -4.747  -1.383  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -5.340  -3.324   0.153  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -5.544  -4.653   0.673  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -5.817  -2.157   0.739  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -5.297  -1.112   0.081  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6