REMARK  Name = BDB058072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159   1.630   0.816  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.376   2.336  -0.530  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.584   3.199  -0.229  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.411   2.295   0.682  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.450   1.536   1.462  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1        4.876  -1.577  -1.702  0.00  0.00    +0.243 C 
ATOM      7  N   LIG    1        3.756  -0.933  -1.079  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1        2.992  -1.900  -0.492  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        1.809  -1.359   0.113  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        1.594   0.012   0.020  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1        2.384   0.950  -0.596  0.00  0.00    -0.219 NA
ATOM     12  N   LIG    1        0.414   0.291   0.671  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -0.098  -0.882   1.184  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        0.741  -1.922   0.840  0.00  0.00    +0.033 A 
ATOM     15  N   LIG    1        3.343  -3.149  -0.530  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1        3.454   0.404  -1.114  0.00  0.00    +0.205 A 
ATOM     17  C   LIG    1        4.648  -3.062  -1.274  0.00  0.00    +0.198 C 
BRANCH   6  19
ATOM     18  C   LIG    1        7.226  -1.475  -1.944  0.00  0.00    +0.196 C 
ATOM     19  O   LIG    1        6.094  -1.040  -1.202  0.00  0.00    -0.358 OA
ENDBRANCH   6  19
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  O   LIG    1        0.720   3.153  -0.952  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        1.503   2.556  -0.951  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.149   4.366   0.490  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -0.348   4.670   0.014  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -3.316   1.308  -0.097  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.289   0.562   0.801  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -4.152  -0.820   1.001  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.048  -1.512   1.819  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.087  -0.827   2.444  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -7.193  -1.682   3.447  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -6.238   0.545   2.259  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.342   1.237   1.441  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -4.055   1.987  -1.113  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -4.850   1.454  -1.300  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7