REMARK  Name = BDB058454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811   0.652  -0.193  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        2.054   0.059  -0.476  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.648  -0.715   0.502  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.866  -1.412   0.498  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        4.007  -2.095   1.732  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1        2.866  -1.762   2.493  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        2.587  -2.231   3.818  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        4.917  -2.840   2.061  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        2.038  -0.926   1.737  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.821  -0.364   2.050  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.210   0.429   1.069  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.191   1.408  -1.211  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        0.850   1.986  -1.730  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1       -3.548   1.447  -1.160  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1       -3.814   2.656  -1.698  0.00  0.00    -0.239 NA
ATOM     16  C   LIG    1       -2.773   3.422  -2.100  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -1.446   3.051  -1.976  0.00  0.00    +0.080 A 
ATOM     18 CL   LIG    1       -0.205   4.113  -2.530  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1       -1.149   1.818  -1.390  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -2.228   1.019  -0.987  0.00  0.00    +0.068 A 
BRANCH  14  27
ATOM     21  C   LIG    1       -8.382   1.015  -0.268  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -7.005   0.372  -0.184  0.00  0.00    +0.133 C 
ATOM     23  O   LIG    1       -7.057  -0.867  -0.918  0.00  0.00    -0.371 OA
ATOM     24  C   LIG    1       -5.789  -1.546  -0.853  0.00  0.00    +0.133 C 
ATOM     25  C   LIG    1       -5.927  -2.851  -1.624  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -4.657  -0.673  -1.441  0.00  0.00    +0.137 C 
ATOM     27  N   LIG    1       -4.607   0.624  -0.729  0.00  0.00    -0.310 N 
ATOM     28  C   LIG    1       -5.921   1.308  -0.761  0.00  0.00    +0.137 C 
ENDBRANCH  14  27
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1        4.823  -1.459  -0.577  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.592  -0.150  -0.808  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.536   0.315   0.322  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1        7.610  -0.722   0.652  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        7.209   1.631  -0.091  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1        5.810   0.583   1.520  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        4.977   1.026   1.288  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7