REMARK  Name = BDB003405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.856   1.577  -1.474  0.00  0.00    +0.175 A 
ATOM      2  O   LIG    1        0.429   2.836  -1.751  0.00  0.00    -0.355 OA
ATOM      3  N   LIG    1       -0.948   2.881  -1.699  0.00  0.00    -0.073 NA
ATOM      4  C   LIG    1       -1.361   1.641  -1.381  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1       -0.238   0.780  -1.235  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.792   1.334  -1.241  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1       -3.077   0.097  -0.678  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -2.330  -0.400  -0.214  0.00  0.00    +0.149 HD
ATOM      9  O   LIG    1       -3.683   2.109  -1.581  0.00  0.00    -0.268 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -4.447  -0.283  -0.351  0.00  0.00    +0.078 C 
ATOM     11  C   LIG    1       -4.891   0.348   0.972  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -6.277  -0.149   1.414  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -6.519   0.265   2.873  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1       -7.408   0.438   0.555  0.00  0.00    +0.041 C 
ATOM     15  O   LIG    1       -6.317  -1.584   1.402  0.00  0.00    -0.374 OA
ATOM     16  C   LIG    1       -5.976  -2.194   0.160  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -4.574  -1.803  -0.275  0.00  0.00    +0.050 C 
ENDBRANCH   7  10
ENDBRANCH   4   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.322   1.369  -1.504  0.00  0.00    +0.306 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.566   0.032  -1.045  0.00  0.00    -0.484 OA
BRANCH  19  26
ATOM     20  C   LIG    1        6.658  -0.693  -0.749  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.931  -0.362   0.427  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.538  -0.114   0.340  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.820   0.198   1.516  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.454   0.278   2.755  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.819   0.045   2.845  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.918  -0.185  -0.923  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        4.632  -0.538  -2.067  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.546  -0.272   1.696  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.000  -0.784  -1.981  0.00  0.00    +0.050 A 
BRANCH  20  31
ATOM     30  C   LIG    1        8.770  -1.245  -1.735  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        8.005  -0.916  -0.583  0.00  0.00    -0.494 OA
ENDBRANCH  20  31
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6