REMARK  Name = BDB053089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.199   1.236  -3.475  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.716   0.524  -2.616  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.619   0.764  -1.261  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.130  -0.278  -0.546  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.322  -1.308  -1.650  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.822  -2.605  -1.604  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.878  -3.345  -2.790  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.424  -2.800  -4.004  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.104  -1.510  -4.046  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.145  -0.799  -2.860  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.682  -0.807   0.648  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.858  -1.561   0.443  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.635  -2.002   1.519  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.252  -1.695   2.819  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.212  -2.222   4.144  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.100  -0.950   3.053  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.327  -0.504   1.976  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.011   2.027  -0.663  0.00  0.00    +0.148 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.334   1.949   0.056  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        3.479   1.491  -0.610  0.00  0.00    +0.138 A 
ATOM     21  N   LIG    1        4.696   1.363   0.036  0.00  0.00    -0.147 N 
ATOM     22  O   LIG    1        5.713   0.912  -0.574  0.00  0.00    -0.164 OA
ATOM     23  C   LIG    1        4.778   1.728   1.368  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1        3.671   2.216   2.057  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.450   2.328   1.397  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.342   0.375  -0.149  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.496  -0.434   0.035  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.615   0.445   0.565  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -5.033   0.124   0.121  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -4.333   1.330  -0.440  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -3.365   0.959   1.966  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.527   1.534   2.550  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -4.744   2.325   2.031  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8