REMARK  Name = BDB058477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.668  -4.759   1.059  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.264  -3.384   1.031  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.004  -2.920   0.660  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.011  -1.527   0.722  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.095  -0.769   0.392  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.261  -1.440  -0.005  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.259  -2.858  -0.062  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.287  -1.130   1.147  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.127  -3.614   0.273  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.093  -2.279   1.316  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.274  -2.304   1.627  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.434  -0.767  -0.406  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -4.282  -1.229  -0.079  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.657   0.575  -0.789  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.861   1.221  -0.466  0.00  0.00    +0.080 A 
ATOM     16 CL   LIG    1       -6.118   0.408   0.392  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1       -5.036   2.544  -0.846  0.00  0.00    +0.132 A 
ATOM     18  N   LIG    1       -4.112   3.264  -1.524  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1       -2.967   2.624  -1.839  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.700   1.306  -1.499  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  C   LIG    1        1.755   0.230   1.267  0.00  0.00    +0.130 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.327   0.740  -0.060  0.00  0.00    +0.056 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.852   2.185  -0.003  0.00  0.00    +0.062 C 
ATOM     24  C   LIG    1        1.735   3.194   0.275  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        3.548   2.541  -1.321  0.00  0.00    +0.041 C 
BRANCH  23  26
ATOM     26  O   LIG    1        3.809   2.307   1.049  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1        4.533   1.678   0.878  0.00  0.00    +0.210 HD
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 6