REMARK  Name = BDB023920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.540  -5.063  -1.214  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.180  -4.581  -0.779  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.113  -3.349  -0.141  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.780  -2.950   0.353  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.748  -1.486   0.621  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.666  -0.619   0.926  0.00  0.00    +0.101 A 
ATOM      7  N   LIG    1       -1.101   0.642   1.087  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.431   0.591   0.879  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.861  -0.674   0.613  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.239  -1.140   0.322  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.285  -2.677   0.464  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.182  -5.267  -1.002  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.750  -0.946   1.060  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.748  -0.304   0.273  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.104  -0.663   0.451  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.096  -0.042  -0.323  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.735   0.915  -1.264  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.451   1.277  -1.466  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.448  -1.640   1.400  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.467  -2.263   2.167  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        1.504   0.673  -0.706  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        1.134  -1.914   1.994  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1        0.218  -2.532   2.757  0.00  0.00    -0.205 F 
BRANCH  17  24
ATOM     24  C   LIG    1        4.705   1.597  -2.103  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.075   1.422  -2.108  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.567   2.273  -3.057  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.949   2.453  -3.431  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.619   2.995  -3.676  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.488   2.584  -3.094  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.235   1.810   0.959  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.527   2.195   2.413  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.389   2.995   3.027  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.106   4.135   2.219  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -1.593   3.757   0.941  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.643   2.979   0.158  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3