REMARK  Name = BDB041978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.632  -1.283  -1.908  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.041  -0.383  -0.771  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1       -1.196   0.255   0.073  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -1.795   1.172   1.120  0.00  0.00    +0.272 A 
ATOM      5  O   LIG    1       -1.135   1.656   2.035  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1       -3.148   1.384   1.054  0.00  0.00    -0.313 N 
ATOM      7  H   LIG    1       -3.526   2.005   1.761  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -3.989   0.735   0.187  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -3.478  -0.140  -0.692  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   3  10
ATOM     10  N   LIG    1        0.177   0.103   0.099  0.00  0.00    -0.197 N 
ATOM     11  C   LIG    1        1.060   1.158   0.182  0.00  0.00    +0.258 C 
ATOM     12  O   LIG    1        0.868   2.355   0.075  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1        2.396   0.579   0.297  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.265  -0.794   0.244  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.358  -1.636   0.316  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        4.617  -1.041   0.441  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.752   0.362   0.490  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.629   1.192   0.416  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        0.842  -1.101   0.118  0.00  0.00    +0.258 C 
ATOM     20  O   LIG    1        0.414  -2.241   0.082  0.00  0.00    -0.269 OA
ENDBRANCH   3  10
BRANCH   8  21
ATOM     21  C   LIG    1       -5.392   0.990   0.259  0.00  0.00    +0.117 C 
ATOM     22  N   LIG    1       -6.530   1.204   0.326  0.00  0.00    -0.189 NA
ENDBRANCH   8  21
TORSDOF 2