REMARK  Name = BDB016827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.672  -0.080   1.220  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.452   0.385   0.323  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.580   0.344   1.274  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.216  -0.120   2.498  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.262  -0.162   3.353  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.287   0.298   2.647  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.675   0.423   3.166  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -2.899   0.658   1.353  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.195  -0.413   2.530  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.806  -0.823   3.503  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        5.331  -1.557   2.188  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.350  -0.852   1.287  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.746  -0.248   0.054  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.772   0.359  -0.714  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.436   0.831  -1.826  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        5.716   0.536  -1.728  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.786   1.550  -2.943  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.431   0.429  -0.350  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        2.008  -0.120   0.808  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.911  -0.142  -0.548  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        3.038  -0.781   1.626  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.651  -0.525  -0.881  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.679   0.018  -2.178  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.858  -0.804  -3.294  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.011  -2.178  -3.125  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.235  -3.187  -4.500  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.985  -2.737  -1.851  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.806  -1.916  -0.735  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1       -3.769   1.261   0.350  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -3.141   2.463  -0.354  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -4.293   0.226  -0.643  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3