REMARK  Name = BDB020560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.969  -0.099  -2.313  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.925  -0.985  -1.073  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.700  -0.779  -0.317  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.606  -1.593  -0.461  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.674  -1.088   0.417  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.172   0.017   1.059  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.622  -2.695  -1.438  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.962  -3.262  -1.487  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -3.079  -4.612  -2.008  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.401   0.191   0.607  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -4.094  -2.451  -1.485  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -5.205  -2.869  -1.822  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.668  -1.591   0.634  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.811  -0.786   0.377  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.095  -1.328   0.594  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.231  -0.547   0.330  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.077   0.750  -0.147  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.863   1.299  -0.366  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.222  -2.643   1.071  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        2.097  -3.421   1.337  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.776   0.535  -0.096  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.825  -2.897   1.121  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.205   1.615  -0.448  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.547   1.317  -0.307  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        7.231   2.430  -0.710  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.662   2.606  -0.741  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.435   3.436  -1.108  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.204   2.940  -0.945  0.00  0.00    +0.144 A 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.323   1.296   1.031  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -3.577   1.246   2.538  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -4.522   2.367   2.964  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.511   3.481   2.068  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.204   3.769   1.583  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -2.752   2.667   0.631  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3