REMARK  Name = BDB058476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.162   0.377   1.184  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.841   0.509   0.728  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.551   1.870   0.646  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.677   2.324   0.221  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.631   1.359  -0.132  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.351  -0.027  -0.067  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.685   2.580   1.054  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.790   4.008   1.126  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.088  -0.452   0.380  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.700   1.665   1.406  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.817   1.930   1.821  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.310  -1.009  -0.394  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.888  -1.883  -0.703  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.723  -0.981  -0.392  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.469  -1.754  -1.302  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.854  -1.643  -1.273  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.892  -2.527  -2.326  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.539  -0.839  -0.429  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.809  -0.107   0.432  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.425  -0.141   0.482  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.824  -2.623  -2.233  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.252  -3.326  -2.957  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.840  -0.859   1.477  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.002  -1.187   0.536  0.00  0.00    +0.053 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -3.267  -0.460  -1.811  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -3.631  -1.614  -0.888  0.00  0.00    +0.113 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.566  -2.561  -0.855  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1       -2.419  -2.857  -1.771  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7