REMARK  Name = BDB046611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.262  -2.219  -3.525  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.662  -1.496  -2.737  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.397  -1.924  -1.356  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.711  -1.060  -0.511  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.369  -1.433   0.791  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -1.715  -0.569   1.675  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -1.198  -1.072   2.394  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.923   0.522   1.079  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -1.654   1.240  -0.085  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -2.825  -2.675   1.255  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.530  -3.546   0.417  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.331   0.259  -1.033  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -2.550   0.625  -2.263  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -3.809  -3.176  -0.897  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.185  -0.255  -3.088  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -3.373   0.066  -4.033  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -2.649   2.315   0.364  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -3.610   2.081   1.362  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -4.510   3.083   1.732  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.460   4.319   1.103  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -5.325   5.278   1.460  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.530   4.573   0.105  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.629   3.573  -0.267  0.00  0.00    +0.007 A 
ENDBRANCH   9  17
BRANCH   8  24
ATOM     24  C   LIG    1        0.486   0.006   0.784  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        1.418  -0.042   1.837  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.715  -0.521   1.633  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.119  -0.969   0.370  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        2.193  -0.936  -0.679  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        0.894  -0.457  -0.476  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.520  -1.503   0.151  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.558  -0.536   0.546  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1        5.756   0.497  -0.497  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1        6.907  -0.330  -1.085  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        6.906  -1.076   0.257  0.00  0.00    +0.086 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   8  24
TORSDOF 4