REMARK  Name = BDB003715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.406  -0.686  -1.659  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.669   0.359  -2.556  0.00  0.00    -0.287 N 
ATOM      3  O   LIG    1       -1.238  -1.567  -1.432  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.203   1.498  -2.729  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1        1.538   1.375  -3.419  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        0.430   2.131  -4.079  0.00  0.00    +0.024 C 
ENDBRANCH   2   4
BRANCH   1   7
ATOM      7  C   LIG    1        0.971  -0.665  -0.982  0.00  0.00    +0.324 C 
BRANCH   7   8
ATOM      8  O   LIG    1        1.063  -1.684   0.006  0.00  0.00    -0.483 OA
BRANCH   8  14
ATOM      9  C   LIG    1        5.792  -2.514   3.050  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        4.572  -2.247   2.210  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        4.533  -1.189   1.281  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        5.720  -0.286   1.076  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.368  -0.977   0.519  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        2.248  -1.794   0.681  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        2.291  -2.831   1.610  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.440  -3.058   2.368  0.00  0.00    +0.007 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1       -2.044   0.480  -3.057  0.00  0.00    +0.205 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.863   1.284  -2.114  0.00  0.00    +0.235 A 
ATOM     19  O   LIG    1       -3.480   0.623  -1.088  0.00  0.00    -0.419 OA
ATOM     20  C   LIG    1       -4.091   1.649  -0.409  0.00  0.00    +0.250 A 
ATOM     21  N   LIG    1       -3.872   2.816  -0.981  0.00  0.00    -0.107 NA
ATOM     22  N   LIG    1       -3.076   2.583  -2.085  0.00  0.00    -0.110 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.833   1.279   0.794  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -5.786   2.119   1.396  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1       -6.223   3.669   0.761  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -6.460   1.717   2.560  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -6.197   0.478   3.139  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.261  -0.368   2.558  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.587   0.028   1.399  0.00  0.00    +0.015 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7