REMARK  Name = BDB012872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.396   0.022  -0.822  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.270  -0.497  -0.202  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.030  -0.384  -0.849  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.020  -0.977   0.162  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.361  -0.642   1.498  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.120  -0.844   1.205  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.305   0.625  -1.890  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.742   0.007   0.630  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.301  -1.193   1.029  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.077  -1.286   0.487  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.573  -2.158   0.594  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.666  -0.159  -0.166  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.760   0.682  -0.134  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.993   0.693  -0.236  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.121   0.471   1.002  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.077   1.735   1.861  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.361  -0.447   0.050  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -3.603   0.412   0.527  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.194  -0.867  -0.959  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -3.934  -1.762  -1.750  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.475  -0.094  -1.062  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -6.768  -0.888  -0.952  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -6.361   0.016   0.171  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -5.473   1.065  -2.028  0.00  0.00    +0.021 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4