REMARK  Name = BDB003830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.390  -0.586   0.664  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -1.613  -1.021   1.349  0.00  0.00    +0.101 C 
ATOM      3  C   LIG    1       -2.688  -0.082   0.762  0.00  0.00    +0.061 C 
ATOM      4  C   LIG    1       -3.791   0.150   1.797  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.842  -0.430   2.879  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.706   1.127   1.499  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.108   1.471   2.366  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.806   0.841   0.742  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.913   1.210   1.138  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -5.669  -0.009  -0.497  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.345   0.126  -1.228  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.234  -0.678  -0.554  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.886   1.219   0.502  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -0.423   0.872   0.777  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.810  -1.183   1.259  0.00  0.00    +0.119 C 
BRANCH  15  19
ATOM     16  C   LIG    1        4.415  -0.260  -0.960  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        3.367  -0.961  -1.569  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.205  -1.256  -0.852  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        2.071  -0.856   0.485  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1        3.122  -0.155   1.093  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.286   0.141   0.377  0.00  0.00    +0.015 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.630   0.030  -1.768  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        5.763  -0.308  -2.934  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.743   1.025  -1.745  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.545   0.711  -1.033  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 4