REMARK  Name = BDB027823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.965  -0.711   0.206  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.863  -2.103   0.495  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.373  -2.737   0.270  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.437  -4.096   0.544  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.574  -4.868   1.021  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.735  -4.235   1.252  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.463  -2.091  -0.177  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        1.380  -0.764  -0.415  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -1.925  -2.885   1.011  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.195  -0.059  -0.215  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.628  -0.128  -0.889  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.630   0.995  -1.731  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.835   1.551  -2.142  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.028   1.058  -1.785  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1        5.027  -0.029  -0.987  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        3.877  -0.643  -0.522  0.00  0.00    +0.030 A 
BRANCH  13  17
ATOM     17  N   LIG    1        3.850   2.656  -2.990  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        3.325   3.430  -2.603  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        4.829   2.900  -3.126  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.179  -0.057   0.429  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -2.952  -0.646   0.123  0.00  0.00    +0.147 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -2.431   1.861  -1.133  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.522   1.371   0.317  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.697   2.236   1.279  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -4.001   1.491   0.758  0.00  0.00    +0.031 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4