REMARK  Name = BDB039616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.307  -0.983   0.095  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.246  -0.166  -0.546  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.057  -0.988  -0.700  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.537  -1.556   0.583  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.551  -2.365   1.180  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.852  -1.554   1.382  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.116   0.739  -0.112  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.619   0.498   1.126  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.384  -0.057   1.174  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.916  -0.274   2.414  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.585  -0.388   0.059  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.171  -0.125  -1.190  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.441   0.445  -1.286  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.385   2.094   1.216  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.036   1.623   1.063  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.508   1.302   1.872  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.484   1.349  -0.171  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.042   1.565  -1.240  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.736  -2.387   0.390  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.962  -1.581   0.012  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.406  -0.536   0.840  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.538   0.201   0.493  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -4.961   1.252   1.338  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -4.447   1.466   2.180  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.066   2.040   1.085  0.00  0.00    +0.273 A 
ATOM     26  C   LIG    1       -6.767   1.704  -0.126  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -6.419   0.695  -1.002  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.364   0.702  -2.055  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.261   1.717  -1.789  0.00  0.00    +0.084 A 
ATOM     30  N   LIG    1       -7.889   2.320  -0.613  0.00  0.00    -0.356 N 
ATOM     31  H   LIG    1       -8.357   3.098  -0.162  0.00  0.00    +0.165 HD
ATOM     32  O   LIG    1       -6.401   2.945   1.843  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -5.249  -0.102  -0.689  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -4.814  -1.143  -1.510  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.678  -1.878  -1.160  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4