REMARK  Name = BDB040544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.485  -2.962   1.132  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.731  -2.155   0.880  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.940  -1.540  -0.357  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.085  -0.766  -0.596  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.193  -0.048  -2.168  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.065  -0.577   0.403  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.821  -1.179   1.656  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.886  -0.985   3.009  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.676  -1.956   1.888  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.327   0.250   0.168  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.123  -0.184  -1.060  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.254  -1.361  -1.394  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.779   0.809  -1.747  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.316   0.505  -2.548  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.999   2.100  -1.342  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.784   2.828  -1.944  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.307   2.537  -0.074  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.024   1.753   0.153  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.502  -1.546   0.745  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.584  -2.113   1.611  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.492  -1.749   2.549  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.502  -1.831  -0.451  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.666   0.666   1.888  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.492  -0.541   1.388  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.203  -1.190   2.592  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.570  -0.091   0.397  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        3.851   1.227   0.321  0.00  0.00    -0.153 NA
ATOM     28  N   LIG    1        4.846   1.695  -0.515  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        5.572   0.849  -1.277  0.00  0.00    +0.067 A 
ATOM     30  C   LIG    1        5.322  -0.515  -1.193  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1        4.322  -0.991  -0.348  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  C   LIG    1        6.651   1.401  -2.174  0.00  0.00    +0.040 C 
ATOM     33  C   LIG    1        6.349   2.570  -3.083  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        6.570   1.210  -3.672  0.00  0.00    +0.010 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6