REMARK  Name = BDB012361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162   0.122   1.926  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.661  -1.086   1.515  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.070  -1.031   1.489  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.792  -2.163   1.105  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        2.122  -3.338   0.780  0.00  0.00    +0.127 A 
ATOM      6  F   LIG    1        2.830  -4.417   0.418  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1        0.739  -3.418   0.828  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.008  -2.294   1.200  0.00  0.00    +0.013 A 
BRANCH   3   9
ATOM      9  O   LIG    1        2.624   0.170   1.845  0.00  0.00    -0.487 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.046   0.302   1.907  0.00  0.00    +0.264 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.644   0.639   0.559  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        4.066   1.634  -0.248  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        4.628   1.958  -1.483  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        5.773   1.297  -1.909  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        6.314   1.609  -3.094  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.369   0.320  -1.120  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        5.809  -0.006   0.116  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -1.401   0.218   1.214  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1       -2.529   0.906  -0.776  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1       -1.363   0.725  -0.026  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1       -0.327   1.150  -0.835  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -0.930   1.574  -2.025  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -2.253   1.441  -2.005  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1       -6.210   0.560  -0.935  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -4.904   0.884  -1.300  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -3.880   0.593  -0.404  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1       -4.127   0.014   0.804  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -5.405  -0.260   1.136  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -6.479  -0.011   0.307  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -7.397   1.932  -2.463  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -7.305   0.871  -1.873  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -8.168  -0.155  -2.023  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -7.875  -0.999  -1.632  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9