REMARK  Name = BDB059788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.657  -0.578  -1.094  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -0.900  -1.945  -1.183  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.062  -2.770  -1.537  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.250  -2.398  -0.801  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.183  -1.471  -0.351  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.450  -1.910   0.059  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -4.779  -3.267  -0.011  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.846  -4.190  -0.481  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.757  -0.055  -0.301  0.00  0.00    +0.099 A 
ATOM     10  C   LIG    1       -2.580  -3.758  -0.872  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.564   0.339  -0.631  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -3.704   0.991   0.144  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.477   1.640   1.360  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -4.362   2.632   1.783  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.457   2.976   0.988  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.668   2.338  -0.237  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.787   1.345  -0.666  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  C   LIG    1        0.658  -0.051  -1.450  0.00  0.00    +0.156 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.629  -0.158  -0.283  0.00  0.00    +0.119 C 
BRANCH  19  21
ATOM     20  O   LIG    1        3.208   0.958  -1.712  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        2.987   0.412  -0.638  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        3.893   0.239   0.398  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        3.550  -0.246   1.219  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.243   0.646   0.439  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        5.889   1.324  -0.597  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        7.231   1.688  -0.465  0.00  0.00    +0.043 A 
ATOM     27 CL   LIG    1        8.022   2.524  -1.746  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        7.942   1.383   0.694  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.306   0.707   1.732  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.963   0.342   1.604  0.00  0.00    +0.023 A 
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5