REMARK  Name = BDB061036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.551  -2.614  -1.481  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.152  -2.069  -1.558  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.484  -1.478  -0.469  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -0.832  -0.996  -0.605  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -1.500  -1.097  -1.825  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.846  -1.701  -2.903  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.460  -2.183  -2.772  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -2.808  -0.626  -2.057  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.175  -0.798  -2.986  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.647   0.044  -1.173  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -3.376   0.309  -0.004  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.982   0.471  -1.832  0.00  0.00    +0.194 C 
ATOM     13  C   LIG    1       -4.744   1.598  -2.838  0.00  0.00    +0.043 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -5.955   0.819  -0.788  0.00  0.00    -0.216 N 
ATOM     15  C   LIG    1       -6.619  -0.223  -0.138  0.00  0.00    +0.288 A 
ATOM     16  O   LIG    1       -6.519  -1.396  -0.495  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1       -7.482   0.164   1.015  0.00  0.00    +0.126 A 
ATOM     18 CL   LIG    1       -8.347  -1.105   1.809  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1       -7.558   1.440   1.393  0.00  0.00    +0.084 A 
ATOM     20 CL   LIG    1       -8.498   2.050   2.691  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -6.773   2.410   0.622  0.00  0.00    +0.154 A 
ATOM     22  N   LIG    1       -6.028   2.140  -0.399  0.00  0.00    -0.174 NA
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   5   8
BRANCH   3  23
ATOM     23  S   LIG    1        1.255  -1.327   1.135  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        2.029  -2.520   1.391  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        0.285  -0.835   2.087  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        2.309  -0.019   0.862  0.00  0.00    -0.190 NA
ATOM     27  H   LIG    1        1.769   0.823   1.088  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.550  -0.056   1.685  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.425   1.143   1.325  0.00  0.00    +0.072 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.718   1.114   2.093  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1        5.668   1.515   3.385  0.00  0.00    -0.260 NA
ATOM     32  C   LIG    1        6.818   1.475   4.094  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        8.028   1.050   3.574  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        8.063   0.639   2.248  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        6.893   0.667   1.493  0.00  0.00    +0.023 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   3  23
TORSDOF 8