REMARK  Name = BDB061797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.629   0.793   0.396  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.304   1.877   1.206  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.769   1.843   2.010  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.083   3.029   1.185  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.211   3.092   0.363  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.581   1.994  -0.433  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.770   0.846  -0.415  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -5.758  -0.072   0.679  0.00  0.00    +0.216 C 
ATOM      9  N   LIG    1       -4.444  -0.297   0.226  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -3.761  -1.516   0.760  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -2.276  -1.660   0.312  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1       -1.539  -0.404   0.255  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.158  -0.454   0.433  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        0.461  -1.499   0.626  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.220   0.632  -0.508  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.604   0.901   0.071  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -6.303  -0.766   1.538  0.00  0.00    -0.276 OA
BRANCH   8  19
ATOM     18  C   LIG    1       -6.745   0.865  -1.441  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -6.530   1.076   0.047  0.00  0.00    +0.092 C 
ENDBRANCH   8  19
BRANCH  10  20
ATOM     20  C   LIG    1       -4.513  -2.812   0.345  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -3.967  -4.074   1.002  0.00  0.00    +0.006 C 
ENDBRANCH  10  20
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1        3.803   2.090  -1.328  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.596   0.863  -1.404  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1        5.461   0.474  -0.335  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        6.208  -0.705  -0.447  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        7.070  -1.127   0.575  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        7.194  -0.367   1.733  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.461   0.808   1.865  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.087  -1.516  -1.667  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1        6.732  -2.545  -1.831  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1        5.216  -1.050  -2.611  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1        5.117  -1.604  -3.448  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1        5.602   1.226   0.841  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1        4.467   0.089  -2.548  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1        3.724   0.371  -3.487  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5