REMARK  Name = BDB003913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.640  -0.473  -0.249  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.450   0.293  -0.855  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.752  -0.314  -0.279  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.275   0.612   0.825  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.964   0.492   2.009  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.034   1.679   0.435  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.961   2.348   1.199  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.383   1.472   0.373  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.129   2.092   1.130  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.934   0.556  -0.698  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.200  -0.763  -0.892  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.780  -0.542  -1.402  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.282  -1.650   0.335  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.153  -1.379   0.776  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        4.208   0.127   0.509  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        2.938  -0.455   0.527  0.00  0.00    +0.089 A 
ATOM     17  C   LIG    1        1.900   0.087  -0.227  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        2.122   1.175  -0.998  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        3.355   1.727  -1.006  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        4.423   1.247  -0.275  0.00  0.00    +0.065 A 
BRANCH  15  22
ATOM     21  C   LIG    1        6.445   0.064   1.315  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.138  -0.497   1.296  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  17
TORSDOF 2