REMARK  Name = BDB004953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.468   0.027   1.479  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        1.201  -0.425   0.152  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        2.220  -0.324  -0.820  0.00  0.00    +0.092 A 
ATOM      4  N   LIG    1        2.011  -0.746  -2.086  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.817  -1.262  -2.392  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -0.208  -1.401  -1.560  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1        3.460   0.230  -0.433  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        3.685   0.686   0.879  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -0.029  -0.975  -0.298  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.688   0.595   1.833  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.623   0.387  -1.366  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.690   0.859  -0.988  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.479  -0.010  -2.662  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.604  -0.409  -2.989  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.258   0.088  -3.296  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
BRANCH   1  17
ATOM     16  C   LIG    1        0.741  -1.040   3.391  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.482  -0.001   2.441  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -1.077  -1.193   0.616  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -1.084  -0.425   1.289  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.408  -1.435   0.075  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.132  -0.131  -0.175  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -3.787   0.533   0.874  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.438   1.747   0.647  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.436   2.312  -0.627  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.781   1.667  -1.674  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.131   0.453  -1.449  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 5