REMARK  Name = BDB015025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.005   0.630  -3.579  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        2.026   1.474  -4.744  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1        1.151   1.908  -4.774  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        2.222   1.513  -2.328  0.00  0.00    +0.119 C 
BRANCH   4   5
ATOM      5  N   LIG    1        2.141   0.802  -1.041  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        2.050   1.776   0.067  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        2.057   1.132   1.437  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        2.583  -0.158   1.623  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        2.607  -0.723   2.905  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.133  -0.003   4.000  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.626   1.282   3.823  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.054  -0.955   0.433  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        1.589   1.849   2.548  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.290  -0.086  -0.812  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.683  -0.151  -3.549  0.00  0.00    +0.261 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.411   0.786  -3.523  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.499   0.257  -2.882  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.502   0.085  -1.496  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -2.630  -0.431  -0.843  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1       -3.754  -0.755  -1.620  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -3.757  -0.552  -3.004  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.629  -0.036  -3.636  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.611  -0.657   0.623  0.00  0.00    -0.044 C 
ATOM     24  C   LIG    1       -1.332  -1.193   1.230  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -1.527  -1.779   2.630  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -2.353  -0.838   3.499  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.725  -0.579   2.877  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -3.687  -0.384   1.388  0.00  0.00    -0.023 C 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7