REMARK  Name = BDB003923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.459  -1.142  -0.609  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -0.614  -1.468  -1.449  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.786  -1.434  -0.683  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.018  -1.715  -1.239  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.052  -2.031  -2.603  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.871  -2.064  -3.373  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -1.430  -1.069   0.624  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -0.629  -1.777  -2.796  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.034  -0.861   0.675  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1        0.612  -0.501   1.648  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.332  -0.845   1.741  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -1.997  -1.900   2.809  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -1.769  -3.081   2.514  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -2.055  -1.575   4.142  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -1.929  -2.475   4.599  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.190  -1.003   4.654  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -4.026  -1.670   5.259  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.287   0.496   4.519  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -3.468   0.983   3.092  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -2.290   0.620   2.188  0.00  0.00    +0.035 C 
ENDBRANCH   7  11
BRANCH   1  21
ATOM     21  C   LIG    1        1.834  -0.968  -1.000  0.00  0.00    +0.247 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.109   0.453  -1.474  0.00  0.00    +0.328 C 
ATOM     23  O   LIG    1        1.261   1.265  -1.822  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1        3.461   0.655  -1.512  0.00  0.00    -0.458 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.683   2.160  -3.448  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        4.009   1.919  -1.967  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1        5.534   1.767  -1.821  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        3.549   3.082  -1.078  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5