REMARK  Name = BDB031308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.899  -1.525  -0.543  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.373  -0.982  -0.811  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        1.408  -1.767  -1.327  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.202  -3.125  -1.552  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.039  -3.693  -1.274  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.079  -2.900  -0.779  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM      7  O   LIG    1       -5.939   3.514   0.267  0.00  0.00    -0.247 OA
ATOM      8  C   LIG    1       -5.165   2.575   0.321  0.00  0.00    +0.326 A 
ATOM      9  N   LIG    1       -5.099   1.601   1.320  0.00  0.00    -0.291 N 
ATOM     10  H   LIG    1       -5.689   1.549   2.131  0.00  0.00    +0.172 HD
ATOM     11  C   LIG    1       -4.083   0.709   1.016  0.00  0.00    +0.158 A 
ATOM     12  C   LIG    1       -3.507   1.124  -0.179  0.00  0.00    +0.087 A 
ATOM     13  C   LIG    1       -2.463   0.428  -0.735  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.014  -0.708  -0.039  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.674  -1.040   1.169  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.711  -0.354   1.726  0.00  0.00    -0.235 NA
ATOM     17  N   LIG    1       -4.164   2.268  -0.613  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1       -3.982   2.808  -1.443  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   2  19
ATOM     19  O   LIG    1        0.621   0.355  -0.620  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.117   0.606   0.705  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.611   0.817   0.680  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        3.462  -0.000   1.437  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.843   0.200   1.411  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.387   1.218   0.630  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.551   2.037  -0.127  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.170   1.838  -0.103  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 4