REMARK  Name = BDB002578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.830  -1.695   0.619  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -2.388  -1.341   0.356  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -1.404  -2.231   0.082  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -0.071  -1.755  -0.113  0.00  0.00    +0.158 A 
ATOM      5  N   LIG    1        1.023  -2.420  -0.419  0.00  0.00    -0.226 NA
ATOM      6  C   LIG    1        2.046  -1.529  -0.277  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        1.572  -0.269   0.086  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.459   0.760   0.449  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.833   0.514   0.335  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.312  -0.719  -0.097  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.425  -1.757  -0.396  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        0.183  -0.384   0.029  0.00  0.00    -0.277 N 
ATOM     13  C   LIG    1       -0.853   0.577   0.171  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -2.104   0.094   0.370  0.00  0.00    +0.050 A 
ENDROOT
BRANCH  13  15
ATOM     15  N   LIG    1       -0.646   1.967   0.039  0.00  0.00    -0.291 N 
ATOM     16  C   LIG    1        0.253   2.624  -0.783  0.00  0.00    +0.205 A 
ATOM     17  N   LIG    1        0.181   3.932  -0.690  0.00  0.00    -0.244 NA
ATOM     18  C   LIG    1       -0.844   4.169   0.176  0.00  0.00    +0.130 A 
ATOM     19  C   LIG    1       -1.390   2.987   0.612  0.00  0.00    +0.114 A 
ENDBRANCH  13  15
BRANCH   3  20
ATOM     20  C   LIG    1       -1.654  -3.636   0.017  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1       -1.914  -4.767  -0.023  0.00  0.00    -0.191 NA
ENDBRANCH   3  20
TORSDOF 2