REMARK  Name = BDB043075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.983  -0.364   0.720  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.711   0.206   0.065  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.669   0.397  -1.156  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.646   0.514   0.885  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.622   0.426   2.344  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.756   0.982   2.727  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.095   1.964   1.607  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.603   2.188   1.459  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.987   2.463   0.006  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.590   1.396  -0.915  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.484   0.542  -0.459  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -0.768  -1.002   2.877  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.183  -1.565   2.808  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.450   1.333   0.365  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.725  -1.712   1.390  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.328  -0.505  -0.091  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.978  -0.498  -0.345  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.626  -0.382  -1.292  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -5.770  -0.520   1.058  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.238  -0.582  -1.347  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.890   0.464  -2.406  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.163   0.766  -0.586  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.670  -0.558  -0.953  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.753  -1.155  -0.124  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.700   0.656  -1.523  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.574  -0.163  -0.556  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.701  -0.864  -1.281  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        6.951  -0.243  -1.422  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        7.991  -0.882  -2.105  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1        9.501  -0.050  -2.229  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        7.786  -2.150  -2.659  0.00  0.00    +0.059 A 
ATOM     32 CL   LIG    1        9.022  -3.000  -3.516  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        6.540  -2.770  -2.528  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        5.503  -2.130  -1.845  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6