REMARK  Name = BDB055562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.714  -3.511  -0.105  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -0.718  -2.038   0.222  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.835  -1.225  -0.102  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.806   0.171   0.160  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1       -0.660   0.670   0.827  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.439  -0.134   1.172  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1        0.396  -1.491   0.866  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.951   1.153  -0.217  0.00  0.00    -0.011 C 
ATOM      9  C   LIG    1       -3.260   1.111  -1.731  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -2.621   2.645   0.081  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -4.217   0.838   0.610  0.00  0.00    +0.015 C 
ENDBRANCH   4   8
BRANCH   3  12
ATOM     12  N   LIG    1       -2.854  -1.847  -0.852  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1       -3.754  -1.391  -0.806  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -2.566  -1.960  -1.821  0.00  0.00    +0.142 HD
ENDBRANCH   3  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.637   0.469   1.874  0.00  0.00    +0.075 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.953   0.256   1.181  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        3.286   0.775  -0.061  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        4.485   0.572  -0.626  0.00  0.00    -0.200 NA
ATOM     19  C   LIG    1        5.378  -0.148   0.053  0.00  0.00    +0.214 A 
ATOM     20  N   LIG    1        5.157  -0.712   1.240  0.00  0.00    -0.223 NA
ATOM     21  C   LIG    1        3.949  -0.488   1.783  0.00  0.00    +0.121 A 
BRANCH  17  22
ATOM     22  N   LIG    1        2.376   1.532  -0.810  0.00  0.00    -0.343 N 
ATOM     23  H   LIG    1        2.075   2.344  -0.284  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        1.556   0.966  -1.018  0.00  0.00    +0.144 HD
ENDBRANCH  17  22
BRANCH  19  25
ATOM     25  N   LIG    1        6.604  -0.369  -0.540  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1        6.507  -0.262  -1.541  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        6.994  -1.234  -0.198  0.00  0.00    +0.145 HD
ENDBRANCH  19  25
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 6