REMARK  Name = BDB000973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.434  -0.273  -0.512  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1        0.626  -0.129   0.354  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.565   0.067   1.343  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.790  -0.346  -0.340  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.365  -0.666  -1.623  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.313  -1.005  -2.600  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.669  -1.031  -2.249  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.076  -0.707  -0.953  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.142  -0.336   0.026  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.002  -0.594  -1.715  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.233  -1.188   0.955  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -1.865  -0.100  -0.074  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -2.123   1.310   0.473  0.00  0.00    +0.095 C 
ATOM     14  N   LIG    1       -3.575   1.466   0.389  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -3.841   2.450   0.401  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.968   0.842  -0.877  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1       -2.855  -0.139  -1.250  0.00  0.00    +0.030 C 
ENDBRANCH   1  12
BRANCH   9  18
ATOM     18  C   LIG    1        3.597   0.025   1.382  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        4.585  -0.483   1.892  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.888   1.007   2.024  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        3.344   1.350   2.862  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.432   1.714   1.460  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2