REMARK  Name = BDB001446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.851   0.029  -0.372  0.00  0.00    -0.274 N 
ATOM      2  C   LIG    1        0.143   0.475   0.625  0.00  0.00    +0.193 C 
ATOM      3  C   LIG    1        0.070   1.992   0.878  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1        0.089   2.460   2.024  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.184   2.877  -0.154  0.00  0.00    -0.283 N 
ATOM      6  H   LIG    1        0.318   3.821   0.191  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1        0.503   2.603  -1.488  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.150   1.447  -2.189  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        0.586   1.286  -3.521  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        1.349   2.269  -4.146  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.668   3.438  -3.466  0.00  0.00    +0.016 A 
ATOM     12  I   LIG    1        1.983   2.003  -6.104  0.00  0.00    -0.044 I 
ATOM     13  C   LIG    1        1.236   3.606  -2.149  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.811   0.427  -1.705  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -1.565  -0.065  -2.547  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        1.576  -0.032   0.385  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        1.875  -1.045  -0.544  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.186  -1.496  -0.726  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.218  -0.954   0.031  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        5.830  -1.506  -0.198  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.948   0.027   0.979  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.636   0.476   1.161  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.893  -0.972  -0.006  0.00  0.00    +0.118 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.575  -1.867   1.196  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -2.022  -1.595   2.499  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -1.687  -2.440   3.563  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.901  -3.565   3.340  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -0.490  -4.599   4.651  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.445  -3.856   2.059  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.779  -3.013   0.996  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -3.342  -0.438  -0.059  0.00  0.00    +0.147 C 
BRANCH  31  33
ATOM     32  O   LIG    1       -2.822   1.483   1.362  0.00  0.00    -0.251 OA
ATOM     33  C   LIG    1       -3.621   0.765   0.790  0.00  0.00    +0.307 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -4.942   1.023   0.876  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -4.995   1.828   1.433  0.00  0.00    +0.295 HD
ENDBRANCH  33  34
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 6