REMARK  Name = BDB009625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.195  -1.169  -0.931  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1        0.590   0.043  -0.565  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -0.241   1.232  -0.004  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.672   1.186  -0.537  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -2.373  -0.136  -0.169  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -3.755  -0.102  -0.861  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.561  -1.315  -0.712  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -2.127  -2.401  -0.878  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        1.734  -0.259   0.406  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        3.018   0.251   0.148  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.069   0.029   1.041  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.846  -0.701   2.205  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        5.139  -0.976   3.304  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.579  -1.207   2.484  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.528  -0.983   1.591  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.418   2.582  -0.284  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.995   3.303   0.776  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.621   4.528   0.541  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.326   5.391   1.852  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        1.685   5.053  -0.746  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.120   4.348  -1.807  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.493   3.120  -1.579  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1        0.973  -3.385  -0.723  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1        0.468  -2.287  -1.662  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        1.560  -1.865  -2.647  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1       -2.520  -0.300   1.365  0.00  0.00    +0.093 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.476  -1.339   1.850  0.00  0.00    +0.150 A 
ATOM     28  N   LIG    1       -3.560  -2.625   1.384  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.067  -3.071   0.614  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -4.491  -3.299   2.070  0.00  0.00    -0.047 NA
ATOM     31  N   LIG    1       -4.973  -2.430   2.947  0.00  0.00    -0.023 NA
ATOM     32  N   LIG    1       -4.353  -1.211   2.825  0.00  0.00    -0.114 NA
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5