REMARK  Name = BDB023075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -1.668   0.825  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.782  -1.866  -0.532  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        2.233  -1.620  -0.160  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.156  -0.536   0.920  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.817  -0.606   1.490  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1       -3.533  -1.558   0.818  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.240  -0.301   0.238  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -1.867  -0.205   0.201  0.00  0.00    +0.127 A 
ATOM      9  N   LIG    1       -1.253   0.878  -0.303  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -0.239   1.009  -0.315  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -2.062   1.889  -0.762  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -3.358   1.907  -0.780  0.00  0.00    -0.215 NA
ATOM     13  N   LIG    1       -1.302  -1.330   0.725  0.00  0.00    -0.303 N 
ATOM     14  C   LIG    1       -4.039   0.801  -0.280  0.00  0.00    +0.205 A 
ATOM     15  N   LIG    1       -5.332   0.708  -0.259  0.00  0.00    -0.064 NA
ATOM     16  C   LIG    1       -2.328  -2.174   1.107  0.00  0.00    +0.107 A 
BRANCH   6  18
ATOM     17  C   LIG    1       -5.883  -2.625   1.300  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.808  -2.138   1.080  0.00  0.00    -0.067 C 
ENDBRANCH   6  18
BRANCH  15  19
ATOM     19  O   LIG    1       -5.938   1.856  -0.799  0.00  0.00    -0.395 OA
ATOM     20  C   LIG    1       -7.346   1.695  -0.725  0.00  0.00    +0.313 C 
ENDBRANCH  15  19
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  O   LIG    1        0.623  -3.176  -1.082  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1       -0.318  -3.275  -1.325  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1        2.771  -2.826   0.411  0.00  0.00    -0.386 OA
ATOM     24  H   LIG    1        2.447  -3.551  -0.164  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1        2.377   0.908   0.421  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.823   1.215   0.082  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        4.696   1.635   1.101  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        6.041   1.915   0.827  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        7.036   2.430   2.142  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        6.531   1.773  -0.473  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1        8.175   2.101  -0.888  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        5.674   1.351  -1.492  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        4.331   1.073  -1.217  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
BRANCH  25  34
ATOM     34  O   LIG    1        1.511   1.209  -0.685  0.00  0.00    -0.385 OA
ATOM     35  H   LIG    1        1.828   2.057  -1.054  0.00  0.00    +0.210 HD
ENDBRANCH  25  34
ENDBRANCH   4  25
TORSDOF 8