REMARK  Name = BDB023901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.450   4.381   2.277  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.648   3.937   1.477  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.486   2.832   0.650  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.151   2.288   0.316  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.268   0.915  -0.239  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.707  -0.061  -0.549  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1        0.147  -1.190  -1.007  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.179  -0.941  -0.995  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -1.470   0.313  -0.551  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.800   0.940  -0.366  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.609   2.465  -0.238  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.716   4.542   1.582  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.158   0.103  -0.398  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        3.073  -0.942  -0.056  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.348  -0.371  -0.013  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.500  -1.104   0.300  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.348  -2.465   0.581  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.094  -3.067   0.549  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        4.209   0.960  -0.330  0.00  0.00    -0.360 N 
ATOM     20  H   LIG    1        4.977   1.614  -0.390  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        2.954  -2.319   0.234  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.892   1.260  -0.560  0.00  0.00    +0.093 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.104  -1.982  -1.425  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.529  -2.858  -0.284  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.716  -3.776  -0.439  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.802  -2.589   0.479  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 3