REMARK  Name = BDB008631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.871  -0.394  -1.318  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        1.406   0.069  -2.560  0.00  0.00    +0.180 A 
ATOM      3  C   LIG    1        0.035   0.216  -2.788  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1       -0.578   0.745  -4.314  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.875  -0.058  -1.768  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.434  -0.507  -0.510  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1        0.947  -0.669  -0.301  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   2   8
ATOM      8  O   LIG    1        2.297   0.307  -3.581  0.00  0.00    -0.490 OA
ATOM      9  C   LIG    1        2.837   1.624  -3.469  0.00  0.00    +0.277 C 
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  C   LIG    1       -1.481  -0.777   0.569  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.067  -1.767   1.666  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.037   0.470   1.152  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.412   0.718   1.308  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.828   1.805   1.725  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.407  -0.408   0.958  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.406  -0.633  -0.464  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.702  -0.922  -1.004  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -6.542  -1.783  -0.052  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.826  -1.105   1.223  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.843  -1.795   1.974  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.814  -0.067   1.506  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.124   1.576   1.402  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.094   2.288   2.734  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        0.088   1.487   2.295  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.229  -0.539  -1.199  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.746  -1.052   0.027  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.260  -1.178  -0.087  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.931   0.159  -0.378  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        8.048   1.163  -0.641  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        7.346  -0.035  -0.337  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10