REMARK  Name = BDB062178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.117   0.241   0.849  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.401  -0.041   2.016  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.202  -0.752   1.943  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.300  -1.175   0.704  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.409  -0.859  -0.464  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.610  -0.149  -0.395  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.390   2.004   1.683  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -3.377   1.012   0.956  0.00  0.00    +0.262 C 
ATOM      9  N   LIG    1       -4.578   0.683   0.288  0.00  0.00    -0.290 N 
ATOM     10  C   LIG    1       -4.863  -0.468  -0.430  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -6.147  -0.389  -0.923  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.692   0.835  -0.483  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.724   1.463   0.266  0.00  0.00    +0.094 A 
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1        1.609  -1.925   0.628  0.00  0.00    +0.094 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.806  -1.012   0.820  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        3.377  -0.338  -0.365  0.00  0.00    +0.099 A 
ATOM     17  C   LIG    1        4.443   0.515  -0.168  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        4.993   1.162  -1.274  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        4.450   0.921  -2.534  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.382   0.041  -2.637  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        4.963   0.705   1.188  0.00  0.00    +0.274 A 
ATOM     22  O   LIG    1        5.909   1.454   1.401  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        4.337  -0.006   2.184  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        4.679   0.117   3.133  0.00  0.00    +0.192 HD
ATOM     25  N   LIG    1        2.830  -0.601  -1.581  0.00  0.00    -0.253 NA
ATOM     26  N   LIG    1        3.274  -0.846   2.025  0.00  0.00    -0.173 NA
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 3