REMARK  Name = BDB055912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   0.680   1.536  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.955   0.679   2.334  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1        3.703  -3.505   1.050  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        3.829  -2.287   1.025  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        4.950  -1.623   0.341  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        4.989  -0.226   0.380  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        6.041   0.429  -0.263  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        7.032  -0.300  -0.929  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        6.979  -1.694  -0.958  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        4.011   0.540   1.038  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.047  -0.088   1.627  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        5.934  -2.363  -0.322  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        2.929  -1.451   1.636  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        2.163  -1.907   2.110  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.766   1.500   0.239  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.451   1.596  -0.570  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -1.601   2.224   0.100  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.769   1.275   0.462  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1       -3.228   0.504  -0.707  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.258   0.333  -1.802  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -0.810   0.344  -1.257  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.535   0.060  -0.812  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.351  -0.109   0.323  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -6.672  -0.562   0.226  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -7.203  -0.855  -1.018  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1       -8.467  -1.288  -1.116  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.438  -0.705  -2.162  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -5.117  -0.253  -2.054  0.00  0.00    +0.026 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5