REMARK  Name = BDB022055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.016   1.409  -1.328  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.876   0.606  -1.286  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.190   0.881  -2.247  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.037  -0.358  -2.508  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        1.694  -0.878  -1.218  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.819  -0.631   0.024  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -0.657  -0.473  -0.321  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.147   2.375  -2.074  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1       -5.148   0.607   1.455  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -5.012  -0.253   0.329  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.998  -0.001  -0.630  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1       -3.905  -0.847  -1.762  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -4.768  -1.928  -1.940  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.748  -2.187  -0.993  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.131   1.095  -0.409  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -3.285   1.945   0.690  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -5.868  -1.358   0.123  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.289   1.698   1.621  0.00  0.00    +0.047 A 
BRANCH   9  20
ATOM     19  C   LIG    1       -6.421   1.203   3.394  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -6.154   0.289   2.339  0.00  0.00    -0.495 OA
ENDBRANCH   9  20
ENDBRANCH   1  15
BRANCH   5  21
ATOM     21  C   LIG    1        3.077  -0.255  -1.002  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1        3.797  -0.905  -0.010  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        3.357  -1.714   0.410  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.458   0.715  -1.646  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.086  -0.588   0.467  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.850   0.490   0.012  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        7.124   0.720   0.555  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1        7.644  -0.118   1.550  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1        6.881  -1.191   2.004  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.612  -1.422   1.466  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  N   LIG    1        7.929   1.852   0.077  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1        7.430   2.605  -0.770  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        9.066   1.990   0.554  0.00  0.00    -0.126 OA
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH   5  21
TORSDOF 5