REMARK  Name = BDB040452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.491  -1.921  -0.912  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.431  -0.747  -1.667  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.469   0.193  -1.624  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -2.239   1.622  -2.576  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.614  -0.010  -0.824  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.642  -1.184  -0.040  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -4.928  -1.551   1.062  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -2.600  -2.122  -0.088  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.744   1.018  -0.809  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.125   0.416  -1.061  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.322  -0.515  -1.840  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.182   1.026  -0.429  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -8.093   0.627  -0.614  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.181   2.215   0.253  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.230   2.732   0.628  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.843   2.887   0.435  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.715   1.867   0.467  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.356  -2.910  -0.943  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.744  -1.763  -0.333  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.659  -2.545   0.019  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.459  -2.722   0.992  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.940  -1.444  -1.504  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.689  -1.355   0.839  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        1.869  -0.708   1.980  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        3.319  -2.655   1.386  0.00  0.00    +0.025 C 
BRANCH  23  32
ATOM     26  C   LIG    1        3.808   3.147  -1.182  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        4.258   1.851  -0.576  0.00  0.00    +0.039 A 
ATOM     28  N   LIG    1        5.588   1.656  -0.447  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1        6.001   0.480   0.074  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        7.480   0.269   0.195  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1        5.117  -0.517   0.490  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        3.735  -0.318   0.376  0.00  0.00    -0.030 A 
ATOM     33  C   LIG    1        3.317   0.905  -0.177  0.00  0.00    +0.027 A 
ENDBRANCH  23  32
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5