REMARK  Name = BDB023072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -1.937  -0.619  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.442  -1.649  -2.027  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.897  -1.292  -1.756  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.201  -2.217  -0.587  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        1.036  -2.136   0.266  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1       -1.632   1.044   0.840  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.738   0.463   0.176  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -2.272  -0.695  -0.406  0.00  0.00    +0.127 A 
ATOM      9  N   LIG    1       -3.072  -1.487  -1.141  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -2.786  -2.353  -1.587  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -4.384  -1.085  -1.266  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -4.928  -0.024  -0.762  0.00  0.00    -0.215 NA
ATOM     13  N   LIG    1       -0.945  -0.858  -0.125  0.00  0.00    -0.303 N 
ATOM     14  C   LIG    1       -4.136   0.830  -0.001  0.00  0.00    +0.205 A 
ATOM     15  N   LIG    1       -4.577   1.920   0.544  0.00  0.00    -0.064 NA
ATOM     16  C   LIG    1       -0.542   0.219   0.632  0.00  0.00    +0.107 A 
BRANCH   6  18
ATOM     17  C   LIG    1       -1.536   3.275   2.221  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -1.581   2.255   1.590  0.00  0.00    -0.067 C 
ENDBRANCH   6  18
BRANCH  15  19
ATOM     19  O   LIG    1       -5.942   2.115   0.268  0.00  0.00    -0.395 OA
ATOM     20  C   LIG    1       -6.360   3.313   0.906  0.00  0.00    +0.313 C 
ENDBRANCH  15  19
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  O   LIG    1        0.362  -2.831  -2.842  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        1.169  -2.837  -3.398  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1        2.713  -1.540  -2.893  0.00  0.00    -0.386 OA
ATOM     24  H   LIG    1        2.616  -0.778  -3.495  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1        3.507  -1.946   0.185  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.697  -0.525   0.678  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        3.099  -0.069   1.863  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.266   1.253   2.285  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.040   2.129   1.529  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        4.243   3.757   2.046  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        4.649   1.694   0.355  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.480   0.373  -0.068  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  O   LIG    1        3.589  -2.842   1.301  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1        2.673  -2.976   1.609  0.00  0.00    +0.210 HD
ENDBRANCH  25  33
ENDBRANCH   4  25
TORSDOF 8