REMARK  Name = BDB052871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906  -1.116  -0.857  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -1.286  -2.193   0.194  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -1.401  -2.052   1.406  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -1.478  -3.357  -0.490  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.897  -4.594   0.129  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -1.303  -3.120  -1.800  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -0.981  -1.915  -2.138  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        2.471   0.039   0.662  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        3.128   0.492  -0.480  0.00  0.00    +0.139 A 
ATOM     10  F   LIG    1        4.368   0.999  -0.401  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        2.509   0.434  -1.722  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        1.219  -0.089  -1.828  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.530  -0.573  -0.695  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1        1.177  -0.486   0.554  0.00  0.00    +0.026 A 
BRANCH   8  16
ATOM     15  C   LIG    1        3.635   0.171   3.019  0.00  0.00    -0.097 C 
ATOM     16  C   LIG    1        3.103   0.110   1.944  0.00  0.00    -0.063 C 
BRANCH  15  17
ATOM     17  C   LIG    1        4.294   0.248   4.331  0.00  0.00    +0.089 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.681   0.524   3.490  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        5.542   1.130   4.300  0.00  0.00    +0.009 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   8  16
ENDBRANCH   1  13
BRANCH   1  20
ATOM     20  C   LIG    1       -1.924   0.042  -0.860  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1       -2.584   0.434  -2.039  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -3.500   1.500  -2.053  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -4.188   1.875  -3.337  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -3.748   2.211  -0.869  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -3.111   1.827   0.312  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.204   0.762   0.313  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.652   3.236  -0.955  0.00  0.00    -0.434 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.447   4.305  -0.046  0.00  0.00    +0.541 C 
ATOM     29  F   LIG    1       -5.152   5.369  -0.510  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.990   3.978   1.153  0.00  0.00    -0.166 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   1  20
BRANCH   6  31
ATOM     31  N   LIG    1       -1.447  -4.095  -2.728  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -1.067  -3.828  -3.631  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -1.180  -5.030  -2.451  0.00  0.00    +0.145 HD
ENDBRANCH   6  31
TORSDOF 8