REMARK  Name = BDB045653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.646  -0.220   0.072  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.264  -0.234  -0.994  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.644  -0.179  -0.766  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.162  -0.108   0.534  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.258  -0.089   1.603  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.124  -0.145   1.373  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.618  -0.054   0.718  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -4.258  -0.075   1.935  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -3.806  -0.132   2.834  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.613  -0.010   1.728  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -5.754   0.026   0.343  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -7.051   0.094  -0.202  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -8.158   0.124   0.665  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.964   0.086   2.041  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -9.034   0.113   2.846  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.694   0.017   2.613  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -4.514   0.017  -0.250  0.00  0.00    -0.227 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -7.252   0.108  -1.662  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -6.646  -0.629  -2.425  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -8.185   0.996  -2.131  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -8.497   1.779  -1.574  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -8.220   1.096  -3.138  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.900  -0.404  -0.608  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.353   0.595   0.194  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.969   0.654   0.412  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.098  -0.282  -0.163  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        2.660  -1.282  -0.970  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        4.042  -1.343  -1.189  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.312   0.259  -0.408  0.00  0.00    +0.217 C 
ATOM     30  N   LIG    1        6.278  -0.535  -0.879  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        6.536  -1.303  -1.486  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        7.210   1.222   0.342  0.00  0.00    -0.275 OA
BRANCH  29  34
ATOM     33  C   LIG    1        9.813   0.636  -0.451  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        8.655  -0.214  -0.944  0.00  0.00    +0.093 C 
ENDBRANCH  29  34
ENDBRANCH  23  30
ENDBRANCH   1  26
TORSDOF 5