REMARK  Name = BDB031053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098  -0.132  -1.769  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.089   0.398  -1.401  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.120  -0.441  -1.199  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.003  -1.815  -1.381  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.779  -2.347  -1.774  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.296  -1.491  -1.975  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.253   0.124  -0.071  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1        2.983  -0.054  -0.490  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1        2.409   0.833  -1.405  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.089   1.939  -1.910  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.330   2.660  -2.705  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.122   2.013  -2.723  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.438   2.120  -1.499  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.147   0.850  -1.975  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        4.996   1.257  -0.630  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1        5.776  -1.873   0.270  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1        4.967  -0.757   0.886  0.00  0.00    -0.006 C 
ATOM     18  C   LIG    1        5.484  -0.132   2.169  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        4.290  -1.036   2.217  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -3.328   0.147  -0.830  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -3.139   1.153  -0.809  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.828  -0.252   0.490  0.00  0.00    +0.093 C 
ATOM     23  C   LIG    1       -5.230   0.297   0.657  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.405  -0.655   0.799  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -6.271   0.172  -0.443  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -5.175   1.536   1.520  0.00  0.00    +0.089 C 
ATOM     27  N   LIG    1       -3.739   1.795   1.678  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1       -3.552   2.262   2.562  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -3.089   0.476   1.631  0.00  0.00    +0.103 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4