REMARK  Name = BDB058417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.516  -2.479  -0.900  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1       -2.953  -1.514   0.073  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -1.601  -1.287   0.436  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.332  -1.904   0.102  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        0.871  -1.168   0.044  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.929   0.330   0.178  0.00  0.00    +0.074 C 
ATOM      7  N   LIG    1        0.320   1.035   1.070  0.00  0.00    -0.271 NA
ATOM      8  C   LIG    1       -0.590   0.463   2.062  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1        2.088  -1.843  -0.161  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.114  -3.224  -0.349  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.928  -3.949  -0.320  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.284  -3.296  -0.088  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.674  -0.263   1.350  0.00  0.00    +0.170 A 
ATOM     14  O   LIG    1       -2.969   0.071   1.559  0.00  0.00    -0.357 OA
ATOM     15  N   LIG    1       -3.778  -0.697   0.745  0.00  0.00    -0.083 NA
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        1.761   1.097  -0.811  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.866   0.690  -2.149  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        2.635   1.434  -3.048  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.287   2.589  -2.616  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        4.233   3.500  -3.728  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.171   3.013  -1.294  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.404   2.270  -0.393  0.00  0.00    +0.011 A 
ENDBRANCH   6  16
BRANCH   8  23
ATOM     23  C   LIG    1       -1.058   1.563   3.018  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.435   2.881   2.374  0.00  0.00    +0.213 C 
ATOM     25  O   LIG    1       -0.804   3.919   2.562  0.00  0.00    -0.276 OA
ATOM     26  N   LIG    1       -2.572   2.903   1.625  0.00  0.00    -0.329 N 
ATOM     27  H   LIG    1       -2.766   3.764   1.131  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -2.991   2.056   1.262  0.00  0.00    +0.145 HD
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 3