REMARK  Name = BDB022372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.395   0.350  -0.662  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.009   0.378  -0.646  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.744   1.147   0.284  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -3.234   1.191   0.257  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -3.844   1.826   1.268  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.132   2.534   2.351  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -1.752   2.570   2.280  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.033   3.298   3.315  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.802   3.061   3.236  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.036   1.863   1.269  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        0.367   1.839   1.254  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.069   1.097   0.300  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.047  -0.469  -1.605  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        0.500  -0.597  -2.455  0.00  0.00    +0.152 HD
BRANCH  13  20
ATOM     15  C   LIG    1        4.282  -1.893  -0.477  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        4.962  -2.109  -1.630  0.00  0.00    -0.229 NA
ATOM     17  C   LIG    1        4.311  -1.792  -2.769  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        5.264  -2.110  -4.170  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        3.025  -1.267  -2.828  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        2.338  -1.047  -1.618  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        2.995  -1.373  -0.425  0.00  0.00    +0.057 A 
BRANCH  15  25
ATOM     22  C   LIG    1        7.126  -3.080   1.712  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        6.248  -2.794   0.610  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        6.600  -2.824  -0.344  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.998  -2.241   0.792  0.00  0.00    +0.262 C 
ATOM     26  O   LIG    1        4.490  -2.026   1.886  0.00  0.00    -0.269 OA
ENDBRANCH  15  25
BRANCH  19  27
ATOM     27  C   LIG    1        2.419  -0.959  -4.084  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        1.868  -0.708  -5.074  0.00  0.00    -0.191 NA
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -3.879   0.574  -0.817  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -3.361   0.694  -1.686  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -5.356   0.657  -0.995  0.00  0.00    +0.120 C 
ATOM     32  C   LIG    1       -6.050  -0.599  -1.499  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -6.264  -0.150  -0.088  0.00  0.00    +0.044 C 
BRANCH  31  34
ATOM     34  C   LIG    1       -5.861   1.913  -1.529  0.00  0.00    +0.088 C 
ATOM     35  N   LIG    1       -6.256   2.911  -1.973  0.00  0.00    -0.194 NA
ENDBRANCH  31  34
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 7