REMARK  Name = BDB052387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.519  -0.842   0.455  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -2.541   0.062   0.046  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.128   0.587  -1.182  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.886   1.518  -1.904  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -4.102   1.929  -1.354  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.534   1.423  -0.136  0.00  0.00    +0.118 A 
ATOM      7  N   LIG    1       -0.914   0.013  -1.490  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.411   0.195  -2.350  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -3.777   0.493   0.579  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -0.516  -0.852  -0.494  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        0.772  -1.617  -0.533  0.00  0.00    +0.156 C 
ATOM     12  C   LIG    1        1.934  -0.880   0.093  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1        2.956  -0.739  -0.849  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        4.155  -0.118  -0.566  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.333   0.380   0.729  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.310   0.237   1.696  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.569  -1.296  -2.055  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        3.118  -1.313  -2.903  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.097  -0.401   1.384  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.283  -1.823  -1.984  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1        0.677  -2.311  -2.924  0.00  0.00    -0.274 OA
BRANCH  16  22
ATOM     22  N   LIG    1        3.524   0.763   3.052  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        4.588   1.358   3.276  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        2.630   0.580   3.889  0.00  0.00    -0.126 OA
ENDBRANCH  16  22
ENDBRANCH  10  11
BRANCH   1  26
ATOM     25  O   LIG    1       -2.301  -1.378   2.541  0.00  0.00    -0.143 OA
ATOM     26  N   LIG    1       -1.473  -1.666   1.671  0.00  0.00    -0.028 NA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1       -5.733   1.869   0.342  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -5.907   1.435   1.194  0.00  0.00    +0.292 HD
ENDBRANCH   6  27
TORSDOF 4