REMARK  Name = BDB055950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690   1.656   0.018  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.135   1.999   1.415  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        0.985   3.043   1.391  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1        1.906   2.890   0.176  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1        1.127   3.022  -1.142  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.375   2.747  -1.013  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.059   0.300  -1.744  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.214   0.476  -0.483  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -2.708   0.303  -0.766  0.00  0.00    +0.153 C 
ATOM     10  N   LIG    1       -2.121   1.327   0.069  0.00  0.00    -0.253 N 
ATOM     11  C   LIG    1       -3.083   2.285   0.340  0.00  0.00    +0.404 C 
ATOM     12  O   LIG    1       -2.897   3.388   0.828  0.00  0.00    -0.226 OA
ATOM     13  O   LIG    1       -4.314   1.853  -0.068  0.00  0.00    -0.442 OA
ATOM     14  C   LIG    1       -4.788  -0.370   0.659  0.00  0.00    +0.058 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -2.165  -1.099  -0.572  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -2.166  -1.996  -1.653  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.722  -3.310  -1.492  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.270  -3.748  -0.249  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -1.259  -2.871   0.833  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.704  -1.557   0.674  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  N   LIG    1        2.616   1.619   0.222  0.00  0.00    -0.308 N 
ATOM     22  H   LIG    1        2.190   0.796  -0.203  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.708   1.400   1.030  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        4.236   2.292   1.688  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.252   0.008   1.095  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        3.637  -1.080   0.457  0.00  0.00    +0.101 A 
ATOM     27  C   LIG    1        4.285  -2.327   0.636  0.00  0.00    +0.093 A 
ATOM     28  C   LIG    1        3.724  -3.441   0.035  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        2.567  -3.328  -0.716  0.00  0.00    +0.143 A 
ATOM     30  C   LIG    1        1.988  -2.088  -0.854  0.00  0.00    +0.149 A 
ATOM     31  F   LIG    1        2.027  -4.406  -1.295  0.00  0.00    -0.204 F 
ATOM     32  N   LIG    1        5.409  -2.502   1.354  0.00  0.00    -0.253 NA
ATOM     33  C   LIG    1        5.959  -1.426   1.944  0.00  0.00    +0.112 A 
ATOM     34  N   LIG    1        2.494  -0.969  -0.286  0.00  0.00    -0.250 NA
ATOM     35  C   LIG    1        5.423  -0.164   1.846  0.00  0.00    +0.035 A 
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 4