REMARK  Name = BDB021335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.879   0.409   0.579  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.746   0.247  -0.833  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.562   0.677  -1.403  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.680   0.496  -2.762  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.910  -0.092  -2.941  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.484   1.237  -0.649  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.332   1.433   0.633  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.568  -0.240  -1.745  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.848   1.012   1.211  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.848   0.229   1.149  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.466  -0.082   1.640  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -5.357  -0.748   2.812  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -4.114  -1.046   3.241  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -2.958  -0.697   2.562  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.074   0.010   1.362  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -4.357   0.310   0.894  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -2.502  -0.494  -4.180  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -2.953  -0.803  -5.205  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.672   1.619  -1.237  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.192   2.141  -0.534  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.564   0.627  -1.835  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.085  -0.339  -0.811  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.142  -0.040   0.043  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.013   1.158   0.115  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.703   0.884   1.451  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        5.653  -0.534   1.723  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        4.589  -0.969   0.976  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        4.017  -2.218   1.110  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        2.943  -2.532   0.279  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        2.488  -1.599  -0.663  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        1.453  -1.934  -1.446  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5