REMARK  Name = BDB009654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.071   0.855   3.283  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        0.429   0.980   1.824  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1       -0.755   0.741   0.872  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -1.766   1.430   1.056  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -0.627  -0.108  -0.212  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1        0.534  -1.000  -0.394  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        1.855  -0.463   0.220  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.581  -0.033   1.665  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.260  -2.436   0.073  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.516  -2.735   1.205  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.720  -4.058   1.606  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.148  -5.099   0.881  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.402  -6.727   1.373  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.629  -4.828  -0.242  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.833  -3.505  -0.642  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        2.628   0.587  -0.577  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.942   0.902  -0.175  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.698   1.852  -0.865  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        6.296   2.215  -0.342  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.169   2.502  -1.974  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.879   2.192  -2.396  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.120   1.240  -1.708  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -1.738  -0.286  -1.181  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.036  -0.735  -0.542  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.402  -2.199  -0.440  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -4.138  -1.315  -1.403  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1       -1.915   0.856  -2.166  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -1.360   2.258  -2.028  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -2.833   2.026  -1.877  0.00  0.00    +0.006 C 
ENDBRANCH  23  27
ENDBRANCH   5  23
BRANCH   2  30
ATOM     30  C   LIG    1        0.926   2.421   1.528  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.245   3.550   2.275  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        0.852   4.309   3.019  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.072   3.696   2.030  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.489   2.972   1.502  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 8