REMARK  Name = BDB059543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.730  -1.745   0.282  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.352  -1.382   0.692  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -2.450  -0.756  -0.138  0.00  0.00    -0.310 N 
ATOM      4  C   LIG    1       -1.266  -0.610   0.528  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -1.523  -1.139   1.786  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -0.484  -1.127   2.718  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.736  -0.580   2.305  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.883  -0.070   1.006  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1       -0.111  -0.078   0.079  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -2.812  -1.608   1.878  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.154   0.518   0.538  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.586   0.333  -0.781  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.785   0.890  -1.196  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.577   1.609  -0.385  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.161   1.805   0.875  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.976   1.284   1.373  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        4.244   0.689  -2.497  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        3.550   0.961  -3.182  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.107   1.218  -2.595  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        5.002   2.552   1.699  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.783   2.856   1.122  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.515   3.337   2.115  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.684  -0.385  -1.550  0.00  0.00    +0.091 C 
ATOM     24  C   LIG    1       -3.757   0.597  -1.962  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -2.313   0.971  -2.105  0.00  0.00    +0.027 C 
ENDBRANCH   3  23
TORSDOF 4