REMARK  Name = BDB064249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.893   1.595  -1.081  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.358   0.520  -0.832  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        2.030  -0.687  -0.839  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1        1.474  -1.532  -0.846  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.101   0.459  -0.548  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -0.932   1.431  -1.101  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.312   1.403  -0.856  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.907   0.419  -0.050  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.041  -0.536   0.508  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.658  -0.522   0.273  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -4.260   0.395   0.183  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -4.962  -0.675   0.892  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -6.448  -0.394   0.622  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -6.480   1.121   0.507  0.00  0.00    +0.052 C 
ATOM     15  C   LIG    1       -5.191   1.439  -0.243  0.00  0.00    +0.108 C 
BRANCH  13  16
ATOM     16  O   LIG    1       -7.303  -0.831   1.667  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1       -7.247  -1.801   1.706  0.00  0.00    +0.210 HD
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        3.498  -0.783  -1.160  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1        3.859  -2.167  -1.790  0.00  0.00    +0.192 C 
ATOM     20  O   LIG    1        3.742  -1.636  -3.131  0.00  0.00    -0.375 OA
ATOM     21  C   LIG    1        3.842  -0.286  -2.600  0.00  0.00    +0.192 C 
BRANCH  18  22
ATOM     22  C   LIG    1        4.420  -0.298   0.062  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1        4.820  -1.177   1.092  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.618  -0.756   2.162  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.032   0.569   2.233  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        7.011   1.092   3.547  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.649   1.472   1.250  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.853   1.039   0.184  0.00  0.00    +0.007 A 
ENDBRANCH  18  22
ENDBRANCH   3  18
TORSDOF 5