REMARK  Name = BDB028248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.663   0.288   0.423  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.565  -0.243  -0.005  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.727   0.540   0.028  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.660   1.843   0.516  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.890   2.649   0.593  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.043   2.031   0.181  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.903   2.570   0.227  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.142   0.770  -0.320  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.873   3.800   1.014  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.443   2.380   0.950  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.060   0.055  -0.418  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.716   1.603   0.902  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        5.252  -1.429  -0.462  0.00  0.00    +0.174 C 
ATOM     14  N   LIG    1        3.882  -1.286  -0.021  0.00  0.00    -0.256 N 
ATOM     15  C   LIG    1        3.058  -0.209  -0.213  0.00  0.00    +0.145 A 
ATOM     16  C   LIG    1        1.855  -0.537   0.386  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.062  -1.843   0.888  0.00  0.00    +0.144 A 
ATOM     18  N   LIG    1        3.292  -2.299   0.644  0.00  0.00    -0.178 NA
BRANCH  15  19
ATOM     19  C   LIG    1        3.433   0.964  -0.919  0.00  0.00    +0.119 C 
ATOM     20  N   LIG    1        3.764   1.916  -1.492  0.00  0.00    -0.189 NA
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  21
ATOM     21  C   LIG    1       -3.209  -1.350  -0.998  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.561  -2.284   0.074  0.00  0.00    -0.325 NA
ATOM     23  H   LIG    1       -2.903  -2.207   0.847  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1       -4.466  -1.998   0.454  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 4