REMARK  Name = BDB052405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.926  -1.460  -0.075  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.042  -0.530  -0.114  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.297  -0.985  -0.244  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.375  -0.015  -0.294  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.350   1.334  -0.486  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.201   2.178  -0.712  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -3.584   1.895  -0.473  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.429   0.856  -0.284  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -3.708  -0.358  -0.182  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.138  -1.768   0.038  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.082  -2.765  -0.506  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.651  -2.325  -0.311  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.589  -3.189  -0.286  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.689  -2.781  -0.174  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -5.883   1.051  -0.202  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.692   0.148  -0.016  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.280   2.350  -0.349  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.565   3.059  -0.469  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.255   2.591  -0.275  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        2.267  -1.107   0.024  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        2.856  -1.935  -0.072  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1        4.338   0.200   0.096  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.951   0.073   0.359  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        2.288   1.186   0.896  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.963   2.376   1.182  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.325   2.482   0.930  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.014   1.398   0.390  0.00  0.00    +0.013 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.382  -0.675  -1.229  0.00  0.00    +0.091 C 
ATOM     29  C   LIG    1        5.103  -0.950  -0.482  0.00  0.00    +0.162 C 
ATOM     30  O   LIG    1        4.691  -2.101  -0.336  0.00  0.00    -0.292 OA
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4