REMARK  Name = BDB000952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.236  -1.122   0.564  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        0.880  -0.017   0.061  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.442   0.782  -0.375  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.226  -0.157   0.287  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.332  -1.359   0.975  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.591  -1.792   1.418  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.711  -0.988   1.169  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.583   0.217   0.474  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.336   0.647  -0.001  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.101  -1.950   1.115  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.106   1.570  -0.627  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -3.639   0.194  -0.480  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1       -2.480  -0.066  -1.338  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -1.765  -1.361  -0.957  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -1.251  -1.320   0.492  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1       -1.990  -0.278   1.344  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -3.454  -0.182   0.928  0.00  0.00    +0.085 C 
ENDBRANCH   1  15
BRANCH   9  18
ATOM     18  C   LIG    1        3.227   1.910  -0.757  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        3.955   2.866  -0.532  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.302   1.939  -1.768  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        2.081   1.068  -2.236  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.396   2.745  -2.376  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2