REMARK  Name = BDB051299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.533  -0.909  -0.571  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        0.161  -0.909  -0.107  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.084  -2.198   0.385  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.294  -2.596   0.961  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.308  -1.650   1.055  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.120  -0.355   0.569  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.257   0.604   0.716  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -4.261   0.333   1.364  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.137   1.817   0.085  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.981   2.377   0.099  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -2.147   2.026  -0.940  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -0.791   1.482  -0.511  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1        1.054  -2.945   0.198  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1        1.148  -3.917   0.459  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -0.897   0.048  -0.037  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        2.030  -2.184  -0.369  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        2.352   0.203  -1.164  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.194   0.966  -0.131  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.393   1.779   0.784  0.00  0.00    -0.330 NA
ATOM     20  H   LIG    1        1.749   1.163   1.286  0.00  0.00    +0.118 HD
ATOM     21  H   LIG    1        3.002   2.179   1.497  0.00  0.00    +0.118 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3