REMARK  Name = BDB006584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.023   0.055  -0.071  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.435   1.020   0.719  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.162   0.549   1.055  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.660   1.352   1.877  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.193   2.588   2.334  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.076   3.034   1.986  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.017  -0.726   0.421  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        1.911   2.261   1.175  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.160  -0.994  -0.254  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.352   0.117  -0.660  0.00  0.00    +0.124 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.385  -0.733   0.082  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.719  -0.207   1.473  0.00  0.00    +0.161 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.573   1.658   2.629  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        5.267   1.105   1.355  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  15
ATOM     15  C   LIG    1       -1.237  -1.593   0.501  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.674  -2.025  -0.831  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1       -2.288  -1.186  -1.768  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -2.487  -1.560  -2.930  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.692   0.238  -1.322  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.606   0.190  -0.212  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -4.563   1.256  -0.207  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -3.993   2.559  -0.781  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -3.618   2.430  -2.199  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -2.815   3.031  -2.381  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.269   1.028  -2.522  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.288  -3.360  -1.244  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -2.322  -4.359  -1.704  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -1.597  -4.583  -0.415  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   7  15
TORSDOF 8