REMARK  Name = BDB021088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.902   1.097  -0.435  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.489   0.922  -0.190  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.459   1.787  -0.741  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.834   1.565  -0.518  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.281   0.500   0.270  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.327  -0.348   0.832  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.061   2.953  -1.606  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.391   3.323  -1.378  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.961  -0.139   0.602  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.245   2.070  -1.479  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.297  -1.579  -4.157  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.224  -1.617  -2.968  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.758  -1.068  -1.780  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.558  -0.229  -1.716  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -3.064  -0.085  -0.325  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.746  -0.582   0.759  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.008  -0.346   1.879  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -1.894   0.281   1.578  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -5.002  -1.292   0.665  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.916   0.462   0.218  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -5.691  -0.968  -0.654  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -6.338  -2.132  -3.070  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -3.384  -0.770   3.326  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.966   0.113   4.473  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.412   0.034   4.079  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.703   0.299   0.496  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.305  -0.911   0.776  0.00  0.00    +0.117 A 
ATOM     28  N   LIG    1        6.642  -0.660   0.899  0.00  0.00    -0.269 N 
ATOM     29  N   LIG    1        6.963   0.635   0.714  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.783   1.214   0.471  0.00  0.00    +0.142 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.684  -1.619   1.219  0.00  0.00    +0.171 C 
BRANCH  31  32
ATOM     32  C   LIG    1        8.322  -2.196  -0.037  0.00  0.00    +0.179 C 
BRANCH  32  33
ATOM     33  O   LIG    1        7.510  -3.241  -0.571  0.00  0.00    -0.393 OA
ATOM     34  H   LIG    1        7.895  -3.490  -1.429  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  26
TORSDOF 6