REMARK  Name = BDB021356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.570   0.594   0.119  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.214   1.212  -0.898  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.587   1.163  -0.745  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -2.139   1.795  -1.837  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.066   2.209  -2.592  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -2.216   0.543   0.354  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.484  -0.034   1.267  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.120   1.848  -2.007  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.114  -0.000   1.121  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.888   0.407   0.094  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1        4.197   0.823   1.240  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.797   0.888   1.250  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.050   0.528   0.120  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.737   0.115  -1.027  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.134   0.050  -1.037  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.157   1.147   1.077  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1        6.415   0.314   0.016  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  N   LIG    1        6.852  -1.098  -0.079  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1        6.710  -1.851   1.165  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1        8.206  -1.232  -0.609  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.107   2.918  -3.835  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -1.185   3.493  -4.841  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.593   0.563   0.425  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.071   1.306  -0.072  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.285   0.157   1.636  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.753   0.023   1.349  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.269  -1.024   0.592  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.572  -2.137  -0.099  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.780  -3.010  -0.439  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.968  -2.185  -0.460  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.627  -1.107   0.313  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.530  -0.165   0.764  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -8.037   0.891   1.531  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.667   0.977   1.814  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.229   2.018   2.537  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7