REMARK  Name = BDB060296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438  -1.047  -0.267  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.760   0.264  -0.619  0.00  0.00    -0.160 N 
ATOM      3  C   LIG    1        1.992   0.877  -0.954  0.00  0.00    +0.317 C 
ATOM      4  O   LIG    1        1.929   1.967  -1.528  0.00  0.00    -0.262 OA
ATOM      5  N   LIG    1       -0.391   0.999  -0.657  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -1.335   0.124  -0.286  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.848  -1.141  -0.040  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.765   0.444  -0.149  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1       -3.144   1.736  -0.335  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1       -4.457   2.026  -0.208  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -5.427   1.088   0.101  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.029  -0.230   0.291  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.681  -0.560   0.166  0.00  0.00    +0.031 A 
ENDBRANCH   6   8
BRANCH   3  14
ATOM     14  C   LIG    1        3.292   0.298  -0.659  0.00  0.00    +0.194 A 
ATOM     15  O   LIG    1        3.446  -0.624   0.343  0.00  0.00    -0.458 OA
ATOM     16  C   LIG    1        4.769  -0.920   0.425  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1        5.481  -0.203  -0.506  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        4.535   0.591  -1.194  0.00  0.00    +0.055 A 
ENDBRANCH   3  14
BRANCH   1  19
ATOM     19  N   LIG    1        1.279  -2.101  -0.222  0.00  0.00    -0.327 N 
ATOM     20  H   LIG    1        0.888  -2.932   0.216  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        2.245  -1.954   0.067  0.00  0.00    +0.145 HD
ENDBRANCH   1  19
TORSDOF 3