REMARK  Name = BDB009620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.049  -1.114   0.180  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.686   0.155   0.435  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.190   1.430   0.642  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.655   1.093   0.922  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.232   0.117  -0.116  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1        3.697  -0.157   0.294  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.431  -1.185  -0.020  0.00  0.00    +0.222 C 
ATOM      8  O   LIG    1        2.010  -2.265  -0.160  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.751   0.455  -0.629  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.573   0.128  -1.983  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.546   0.450  -2.933  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.710   1.103  -2.539  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.908   1.501  -3.708  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.911   1.433  -1.202  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.937   1.113  -0.253  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.361   2.356   1.726  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.445   1.952   3.069  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.962   2.816   4.036  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.062   2.299   5.674  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.402   4.089   3.685  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.323   4.503   2.356  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.807   3.643   1.384  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -0.591  -2.401   0.604  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.636  -3.950   0.422  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.059  -2.565   0.156  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -0.414  -2.582   2.134  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        0.119  -3.960   2.509  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        2.174   0.682  -1.560  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.859  -0.186  -2.621  0.00  0.00    +0.265 C 
ATOM     30  C   LIG    1        2.364   0.132  -4.009  0.00  0.00    +0.263 C 
ATOM     31  O   LIG    1        1.204   0.149  -4.386  0.00  0.00    -0.271 OA
ATOM     32  N   LIG    1        3.443   0.424  -4.761  0.00  0.00    -0.218 N 
ATOM     33  H   LIG    1        3.407   0.739  -5.715  0.00  0.00    +0.161 HD
ATOM     34  C   LIG    1        4.538   0.520  -3.994  0.00  0.00    +0.407 C 
ATOM     35  O   LIG    1        5.629   0.915  -4.367  0.00  0.00    -0.226 OA
ATOM     36  O   LIG    1        4.254   0.147  -2.716  0.00  0.00    -0.437 OA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7