REMARK  Name = BDB012540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.291   0.460  -1.046  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.851   0.916  -0.180  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.813   1.322  -1.226  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.356   1.115  -2.492  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.349   1.525  -3.386  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.404   1.977  -2.604  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1       -3.060   1.846  -1.272  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -3.897   2.199  -0.151  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.031   0.562  -2.437  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1        0.635   0.280  -3.419  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.321  -0.067   2.872  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        2.990  -0.207   1.420  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.038  -0.823   0.550  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.098  -1.201   1.040  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        3.717  -0.914  -0.799  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        4.681  -1.496  -1.721  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        2.497  -0.493  -1.309  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.529   0.047  -0.543  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        1.828   0.194   0.875  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -1.416  -0.163   0.732  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.769   0.158   2.055  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.304  -0.812   2.905  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.499  -2.110   2.441  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -3.161  -3.302   3.489  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.165  -2.447   1.132  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.629  -1.477   0.280  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
TORSDOF 2