REMARK  Name = BDB017459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.979   1.957  -1.209  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.581   2.883  -0.226  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.304   2.758   0.335  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.595   1.770  -0.046  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.731   2.001   0.763  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        1.579   3.039   1.590  0.00  0.00    -0.164 NA
ATOM      7  C   LIG    1        0.219   0.858  -1.046  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        0.344   3.487   1.298  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.003   4.297   1.799  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -1.058   0.973  -1.614  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.484  -1.973   0.742  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.502  -0.650   0.286  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -4.167  -0.354  -0.898  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -4.373   0.918  -1.672  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -3.353   2.027  -1.839  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -5.223   0.498  -2.849  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.435  -0.864  -2.731  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -5.981  -1.390  -3.395  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -5.631   1.241  -3.724  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -4.588   2.236  -0.986  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -4.823  -1.384  -1.589  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.840  -2.693  -1.160  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.157  -2.980   0.022  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -2.017  -1.479   2.547  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.854  -2.414   1.875  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        2.958   1.280   0.798  0.00  0.00    -0.039 C 
ATOM     27  C   LIG    1        3.990   0.665   0.827  0.00  0.00    -0.059 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.216  -0.067   0.868  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        5.791  -0.397   2.098  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        6.988  -1.116   2.141  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        7.608  -1.503   0.949  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        7.039  -1.174  -0.284  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        5.841  -0.455  -0.321  0.00  0.00    +0.017 A 
BRANCH  31  34
ATOM     34  C   LIG    1        8.872  -2.266   0.984  0.00  0.00    +0.258 C 
ATOM     35  O   LIG    1        9.409  -2.591   2.035  0.00  0.00    -0.296 OA
ENDBRANCH  31  34
ENDBRANCH  27  28
ENDBRANCH   5  26
TORSDOF 5