REMARK  Name = BDB003918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   1.584   1.506  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.422   0.422   0.570  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.759  -0.885   1.344  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1        0.076  -1.698   1.738  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.068  -1.068   1.723  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -2.069  -1.714   2.508  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -2.979  -1.614   0.866  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -3.652  -2.575   1.238  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.085  -1.093  -0.544  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -2.703   0.366  -0.722  0.00  0.00    +0.010 C 
ATOM     11  C   LIG    1       -1.188   0.549  -0.774  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        1.091   0.496   0.216  0.00  0.00    -0.031 A 
ATOM     13  C   LIG    1        1.699  -0.564  -0.496  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        3.039  -0.521  -0.901  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        3.821   0.559  -0.503  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.254   1.621   0.197  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.900   1.596   0.542  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  N   LIG    1        3.632  -1.638  -1.500  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        4.471  -1.429  -2.030  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        2.985  -2.233  -2.006  0.00  0.00    +0.142 HD
ENDBRANCH  14  18
ENDBRANCH   2  12
TORSDOF 2