REMARK  Name = BDB020540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906  -0.215  -1.204  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.868  -1.149  -0.898  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.992  -2.605  -1.094  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.714  -3.172   0.039  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.814  -2.530   0.603  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -4.089  -1.091   0.161  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -5.127  -1.109  -0.960  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.578  -3.088   1.394  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.504  -4.582   0.312  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.860  -0.440  -0.264  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.429   0.856  -0.105  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.263   1.011  -0.708  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        4.087   0.352  -0.175  0.00  0.00    +0.075 A 
ATOM     14  N   LIG    1        2.980   0.637   0.544  0.00  0.00    -0.254 NA
ATOM     15  C   LIG    1        1.781   0.378  -0.033  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        1.598  -0.170  -1.313  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.777  -0.446  -2.037  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        2.690  -0.988  -3.330  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        1.452  -1.261  -3.910  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.283  -1.000  -3.202  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        0.339  -0.463  -1.906  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.026  -0.176  -1.459  0.00  0.00    +0.037 A 
BRANCH  13  25
ATOM     23  C   LIG    1        7.051  -1.192  -0.336  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1        6.635   0.021   0.411  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.357   0.647   0.468  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        5.532   1.691   1.354  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        6.835   1.655   1.741  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.490   2.549   2.663  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.536   0.660   1.172  0.00  0.00    -0.176 NA
ENDBRANCH  13  25
ENDBRANCH   1  21
BRANCH  11  30
ATOM     30  C   LIG    1       -3.106   1.959   0.662  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -3.109   1.709   2.177  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -4.299   2.381   2.854  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -4.560   3.641   2.246  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.036   3.538   0.903  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -4.497   2.321   0.152  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3