REMARK  Name = BDB001127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185  -0.331   2.897  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.708  -0.200   2.951  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1        3.976  -3.829   0.228  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        3.938  -2.613   0.368  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        4.446  -1.684  -0.655  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        4.339  -0.316  -0.390  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        4.812   0.586  -1.345  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.379   0.127  -2.538  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        5.479  -1.242  -2.788  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        3.772   0.183   0.795  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.348  -0.671   1.668  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        5.011  -2.156  -1.844  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        3.411  -2.026   1.490  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.067  -2.662   2.196  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.556   0.662   1.907  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.910   0.571   1.920  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -1.508   1.817   1.388  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.974   1.666   0.923  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1       -3.078   0.676  -0.162  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.016  -0.340  -0.217  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.424  -0.611   1.189  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.085   0.739  -1.109  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.284   1.433  -0.869  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -6.309   1.499  -1.821  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -6.154   0.866  -3.046  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -7.407   0.944  -4.221  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -4.985   0.170  -3.322  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -3.968   0.109  -2.360  0.00  0.00    +0.024 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5