REMARK  Name = BDB000951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.865   0.317   0.180  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        2.039  -0.393   0.157  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        2.226  -1.284   0.601  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.950   0.303  -0.599  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.259   1.431  -1.014  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.906   2.370  -1.830  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.234   2.131  -2.208  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.910   0.984  -1.774  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.283   0.041  -0.942  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.978   1.429  -0.521  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.802  -0.469   0.674  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -1.528  -0.360  -0.057  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1       -0.347  -0.164   0.924  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -0.697   0.787   2.081  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -1.887   1.663   1.720  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -3.111   0.816   1.342  0.00  0.00    +0.085 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.229  -1.066   0.663  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.933  -0.944  -0.159  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1       -3.661  -2.320  -0.791  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1        4.934  -1.193  -0.435  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        4.280  -2.073   0.116  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        6.289  -1.308  -0.564  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        6.714  -2.108  -0.113  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        6.890  -0.526  -0.779  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3