REMARK  Name = BDB021834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.116   0.282  -0.897  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.858   0.789   0.175  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.203   0.919  -0.082  0.00  0.00    -0.266 N 
ATOM      4  H   LIG    1        2.586   0.343  -0.821  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.335   1.067   1.251  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.914  -0.517   0.171  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.379   0.802   0.484  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.211   1.122  -0.455  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.300  -0.093  -0.698  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.499  -1.173   0.371  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.970  -1.607   0.437  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.311  -0.746   0.569  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.945  -1.706  -0.454  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.591  -1.285   1.993  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.775   0.933   3.240  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.105  -0.430   3.164  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.200   1.488   0.742  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1        4.542   1.272   0.364  0.00  0.00    +0.183 A 
ATOM     19  C   LIG    1        5.601   1.771   1.146  0.00  0.00    +0.163 A 
ATOM     20  C   LIG    1        5.297   2.542   2.272  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        3.968   2.790   2.626  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.923   2.261   1.867  0.00  0.00    +0.027 A 
BRANCH  18  23
ATOM     23  O   LIG    1        4.724   0.492  -0.762  0.00  0.00    -0.490 OA
ATOM     24  C   LIG    1        5.590   1.085  -1.728  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
BRANCH  19  25
ATOM     25  O   LIG    1        6.874   1.453   0.753  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        7.938   1.792   1.633  0.00  0.00    +0.277 C 
ENDBRANCH  19  25
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        0.580   0.326  -2.287  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.947  -1.027  -2.857  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        1.504  -2.047  -2.072  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.868  -3.269  -2.642  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.688  -3.484  -4.006  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.148  -2.478  -4.802  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.784  -1.256  -4.233  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9