REMARK  Name = BDB036848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325  -1.379   0.034  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.863  -0.094   0.482  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.255   0.709   1.456  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.789   1.746   1.843  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.054   0.462  -0.194  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.266  -0.039  -1.630  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.482   0.210  -2.544  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.321  -0.896  -1.838  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.403  -1.261  -2.777  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.042  -1.569  -0.886  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.745  -2.528  -1.191  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.858  -1.132   0.547  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        3.335   0.291   0.630  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -0.989   0.266   2.020  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1       -2.227   0.186   1.394  0.00  0.00    -0.228 N 
ATOM     16  N   LIG    1       -3.127  -0.455   2.198  0.00  0.00    -0.174 NA
ATOM     17  C   LIG    1       -2.516  -0.578   3.373  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1       -1.193  -0.135   3.328  0.00  0.00    +0.054 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.645   0.638   0.104  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -1.878   1.519  -0.668  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.321   1.917  -1.934  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.537   1.456  -2.433  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.322   0.602  -1.663  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.882   0.199  -0.400  0.00  0.00    +0.028 A 
ENDBRANCH  15  19
ENDBRANCH   3  14
TORSDOF 3