REMARK  Name = BDB009570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.959  -0.433  -0.058  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1        0.362   0.246  -0.014  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.474  -0.607  -0.718  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.248  -2.122  -0.544  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        0.337  -2.426   0.642  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -1.015  -1.762   0.400  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1       -2.065  -2.353   0.638  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.376   1.677  -0.554  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.636   2.748   0.318  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.664   4.062  -0.157  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.431   4.317  -1.505  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.463   5.936  -2.087  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.171   3.270  -2.385  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.145   1.956  -1.913  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.873  -0.180  -0.278  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        3.691   0.529  -1.175  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.965   0.951  -0.793  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        5.946   1.821  -1.907  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        5.446   0.677   0.484  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.646  -0.023   1.385  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.368  -0.446   1.008  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.224   0.359  -0.037  0.00  0.00    +0.077 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.840  -0.507  -2.374  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.322  -0.227  -0.956  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -2.696   0.582   1.421  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.683   1.737   1.605  0.00  0.00    +0.120 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.072   1.357   1.324  0.00  0.00    +0.063 C 
ATOM     28  N   LIG    1       -6.175   1.074   1.100  0.00  0.00    -0.197 NA
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  29
ATOM     29  C   LIG    1        0.171  -3.941   0.825  0.00  0.00    +0.133 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.376  -4.264   2.190  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -0.294  -3.573   3.192  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -0.942  -5.485   2.236  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -1.282  -5.559   3.151  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 10