REMARK  Name = BDB060722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.466  -1.230  -0.427  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -1.654  -2.538   0.081  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -0.779  -2.873   1.122  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.870  -4.125   1.712  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.803  -5.072   1.297  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.674  -4.769   0.260  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        0.160  -2.050   1.592  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        0.261  -0.840   1.045  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -2.614  -3.514  -0.352  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -0.517  -0.404   0.059  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.328  -0.746  -1.437  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -2.761  -1.507  -1.952  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -2.350   2.650  -2.431  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -3.060   1.966  -3.375  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -3.518   2.334  -4.201  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -3.148   0.649  -3.138  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -2.456   0.466  -2.009  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -1.946   1.694  -1.525  0.00  0.00    +0.068 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -3.275   4.877  -1.820  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -2.137   4.119  -2.486  0.00  0.00    +0.051 C 
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  21
ATOM     21  N   LIG    1        1.215   0.061   1.498  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        1.299   0.755   0.762  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.474  -0.563   1.854  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.477   0.519   2.200  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        4.441   0.964   1.274  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.334   1.976   1.641  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.261   2.549   2.912  0.00  0.00    +0.044 A 
ATOM     28 CL   LIG    1        6.367   3.795   3.349  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        4.304   2.128   3.829  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.412   1.119   3.472  0.00  0.00    +0.010 A 
BRANCH  25  31
ATOM     31  O   LIG    1        4.423   0.351   0.049  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1        5.335   0.819  -0.937  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   9  33
ATOM     33  O   LIG    1       -3.419  -3.156  -1.409  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -4.561  -3.964  -1.671  0.00  0.00    +0.277 C 
ENDBRANCH   9  33
TORSDOF 8