REMARK  Name = BDB009577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.227  -0.476   1.868  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.110   0.193   1.570  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        0.929   0.335   2.485  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.406   0.500   0.254  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.626   0.668  -0.792  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -1.953  -0.096  -0.524  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.341   0.022   0.955  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.925   2.148  -1.071  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.222   2.546  -2.388  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.516   3.879  -2.684  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.517   4.830  -1.668  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.877   6.471  -2.032  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.229   4.457  -0.358  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.936   3.123  -0.060  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.988  -1.549  -0.996  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.222  -2.097  -1.396  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.311  -3.422  -1.826  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.832  -4.060  -2.315  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.179  -4.228  -1.863  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.951  -3.705  -1.463  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.857  -2.378  -1.033  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.595  -0.252   3.342  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -1.684  -2.201   4.752  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.011  -1.322   4.232  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        0.323  -1.231   4.413  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        0.750  -0.510   3.886  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.778   0.917  -0.083  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.580  -0.202  -0.773  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        2.950  -1.360   0.157  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.184  -0.881   0.914  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        4.840   0.175   0.026  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        3.960   0.289  -1.216  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7