REMARK  Name = BDB032719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -1.814  -1.296  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.995  -1.800  -0.341  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.205  -1.240  -0.706  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.433  -1.099   0.083  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.333  -0.371  -0.688  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.842  -0.206  -2.055  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.592  -1.562   1.195  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.436  -0.697  -1.965  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.435  -0.695  -2.918  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.196  -1.250  -2.575  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.753  -0.242  -0.336  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.538   0.571  -1.379  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.835   0.121  -2.485  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.764   1.896  -1.091  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.196   2.438  -1.826  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.239   2.623  -0.053  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.296   3.849  -0.054  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.540   1.847   1.036  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.986   0.392   1.042  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.384  -2.385  -0.949  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.168  -1.329  -0.391  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.070  -0.621   0.468  0.00  0.00    -0.248 N 
ATOM     23  H   LIG    1        3.514   0.225   0.514  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.430  -1.704  -0.056  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.871  -2.832  -0.217  0.00  0.00    -0.226 OA
BRANCH  22  27
ATOM     26  C   LIG    1        5.786   0.748   1.451  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        5.385  -0.514   0.957  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        6.287  -1.581   0.972  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        7.578  -1.402   1.473  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        7.966  -0.157   1.959  0.00  0.00    +0.045 A 
ATOM     31 CL   LIG    1        9.560   0.058   2.575  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.079   0.920   1.951  0.00  0.00    +0.067 A 
BRANCH  26  34
ATOM     33  C   LIG    1        5.186   3.019   1.888  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.827   1.734   1.393  0.00  0.00    -0.493 OA
ENDBRANCH  26  34
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6