REMARK  Name = BDB027064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.847   0.771   1.539  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.829   0.740   2.705  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -3.825   1.712   2.890  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -4.698   1.640   3.979  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.579   0.608   4.906  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.581  -0.350   4.754  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.709  -0.281   3.666  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.575   1.392   2.011  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.759   2.400   2.057  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.553   1.172   1.098  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.154  -0.236   1.220  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.529  -0.689  -1.423  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.730  -0.273  -0.102  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.636  -0.126   0.752  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.340  -0.413   0.301  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        2.152  -0.850  -1.019  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.244  -0.997  -1.876  0.00  0.00    +0.013 A 
BRANCH  12  20
ATOM     18  C   LIG    1        7.784  -0.091  -3.290  0.00  0.00    +0.132 C 
ATOM     19  N   LIG    1        6.588   0.166  -2.508  0.00  0.00    -0.304 N 
ATOM     20  C   LIG    1        5.676  -0.876  -2.341  0.00  0.00    +0.246 C 
ATOM     21  O   LIG    1        5.779  -1.962  -2.907  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        6.306   1.564  -2.212  0.00  0.00    +0.132 C 
ENDBRANCH  12  20
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1       -2.388   1.530   0.301  0.00  0.00    +0.186 C 
ATOM     24  O   LIG    1       -2.181   2.745   0.186  0.00  0.00    -0.290 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.113   0.807  -0.755  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -3.712  -0.502  -0.795  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.239  -0.676  -2.081  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -4.891  -1.846  -2.494  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -5.026  -2.880  -1.568  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.533  -2.742  -0.277  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -3.998   0.477  -2.786  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -4.282   0.635  -3.744  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -3.882  -1.566   0.119  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.336   1.374  -2.002  0.00  0.00    +0.095 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8