REMARK  Name = BDB052870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139  -0.953  -0.693  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.665  -2.392  -0.954  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -1.036  -3.219  -0.129  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.636  -2.583  -2.305  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.090  -3.789  -2.957  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -0.175  -1.464  -2.887  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.140  -0.486  -2.104  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.650  -0.179   2.909  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.885   0.334   1.719  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.089   1.636   1.240  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -2.379   2.079   0.123  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -1.440   1.245  -0.493  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.202  -0.058  -0.026  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1       -1.933  -0.491   1.095  0.00  0.00    +0.013 A 
BRANCH  10  15
ATOM     15  O   LIG    1       -4.027   2.387   1.897  0.00  0.00    -0.434 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.779   3.783   1.910  0.00  0.00    +0.541 C 
ATOM     17  F   LIG    1       -4.230   4.324   0.751  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.536   4.317   2.904  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  C   LIG    1        1.172  -0.931   0.123  0.00  0.00    -0.005 A 
ATOM     20  C   LIG    1        2.159   0.040  -0.159  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.347   0.105   0.577  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        3.555  -0.797   1.617  0.00  0.00    +0.139 A 
ATOM     23  F   LIG    1        4.684  -0.758   2.341  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        2.594  -1.752   1.930  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        1.407  -1.815   1.193  0.00  0.00    +0.010 A 
BRANCH  21  26
ATOM     26  C   LIG    1        4.329   1.096   0.259  0.00  0.00    -0.061 C 
ATOM     27  C   LIG    1        5.151   1.929  -0.011  0.00  0.00    -0.063 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.155   2.939  -0.335  0.00  0.00    +0.302 C 
ATOM     29  F   LIG    1        5.661   3.737  -1.321  0.00  0.00    -0.235 F 
ENDBRANCH  27  28
ENDBRANCH  21  26
ENDBRANCH   1  19
BRANCH   6  30
ATOM     30  N   LIG    1       -0.035  -1.363  -4.229  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1        0.218  -2.205  -4.727  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        0.525  -0.560  -4.501  0.00  0.00    +0.145 HD
ENDBRANCH   6  30
TORSDOF 7