REMARK  Name = BDB004436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.317   1.875   2.719  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.415   1.849   1.903  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.412   1.294   0.639  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.092   1.354  -0.007  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.681   2.213   0.982  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.949   2.777   0.897  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.417   3.540   1.974  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.620   3.748   3.112  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.337   3.207   3.186  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.101   2.456   2.110  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.218   1.982  -1.404  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.577   3.339  -1.554  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.713   3.916  -2.820  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.505   3.144  -3.958  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.673   3.852  -5.516  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.169   1.799  -3.841  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.033   1.222  -2.575  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        2.525   0.511   0.130  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.380  -0.974   0.381  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.459  -1.485   1.687  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.248  -2.842   1.934  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.954  -3.697   0.866  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        1.896  -3.210  -0.446  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.114  -1.851  -0.683  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        1.683  -5.114   1.124  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        1.932  -5.555   2.255  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        1.207  -5.787   0.197  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -0.357   0.001  -0.058  0.00  0.00    -0.343 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -1.749  -0.251  -0.065  0.00  0.00    +0.190 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.913  -1.690  -0.441  0.00  0.00    -0.001 C 
ATOM     31  C   LIG    1       -2.439  -2.635   0.357  0.00  0.00    -0.002 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.580  -4.071  -0.032  0.00  0.00    +0.183 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -3.958  -4.404  -0.018  0.00  0.00    -0.391 OA
ATOM     34  H   LIG    1       -4.258  -4.346   0.904  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9