REMARK  Name = BDB022291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.913  -0.445  -0.700  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.398   0.038  -0.571  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.323  -0.510   0.345  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.720   0.002   0.437  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.476  -0.475   1.435  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.035  -1.513   2.388  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -1.769  -2.042   2.205  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.326  -3.088   3.113  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.818  -1.863   3.269  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.889  -1.539   1.202  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        0.419  -2.030   1.069  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.303  -1.493   0.128  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.781   0.182  -1.615  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.282   0.637  -2.378  0.00  0.00    +0.152 HD
BRANCH  13  20
ATOM     15  C   LIG    1        5.341   0.286  -0.572  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        6.016   0.432  -1.739  0.00  0.00    -0.229 NA
ATOM     17  C   LIG    1        5.261   0.508  -2.855  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.220   0.691  -4.276  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        3.872   0.446  -2.878  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.190   0.299  -1.654  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.957   0.217  -0.485  0.00  0.00    +0.057 A 
BRANCH  15  25
ATOM     22  C   LIG    1        8.483   0.309   1.531  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        7.532   0.264   0.453  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        7.835   0.452  -0.500  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        6.173   0.198   0.670  0.00  0.00    +0.262 C 
ATOM     26  O   LIG    1        5.654   0.082   1.774  0.00  0.00    -0.269 OA
ENDBRANCH  15  25
BRANCH  19  27
ATOM     27  C   LIG    1        3.159   0.529  -4.113  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        2.532   0.612  -5.086  0.00  0.00    -0.191 NA
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -3.135   0.917  -0.529  0.00  0.00    -0.340 N 
ATOM     30  H   LIG    1       -2.755   0.686  -1.444  0.00  0.00    +0.146 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.417   1.611  -0.663  0.00  0.00    +0.070 C 
ATOM     32  C   LIG    1       -4.623   2.602   0.479  0.00  0.00    +0.028 C 
BRANCH  31  33
ATOM     33  C   LIG    1       -5.536   0.629  -0.913  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -6.721   0.431   0.006  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -6.907   1.129  -1.309  0.00  0.00    +0.005 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 7