REMARK  Name = BDB031371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.192   0.383   0.037  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.118   0.190   1.026  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.234  -0.099   0.328  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.677   0.908  -0.659  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.458   1.719  -1.146  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.786   0.937  -1.267  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.210   0.001   1.108  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.305   0.134   2.099  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.012   0.261   1.722  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.141   0.415   2.735  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.530   0.267   0.394  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.525   0.121  -0.585  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.871  -0.011  -0.238  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.729  -1.387   1.243  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.384  -1.077   0.826  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.887  -1.775   0.289  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.641  -0.138   1.528  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.102   0.535   2.443  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.754   1.777  -0.171  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.093   1.079  -0.121  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.785   0.798  -1.306  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.273   1.175  -2.489  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.014   0.143  -1.278  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1       -5.704  -0.137  -2.491  0.00  0.00    -0.319 N 
ATOM     25  H   LIG    1       -5.279   0.144  -3.367  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.931  -0.783  -2.577  0.00  0.00    +0.260 A 
ATOM     27  C   LIG    1       -7.508  -1.177  -1.308  0.00  0.00    +0.085 A 
ATOM     28  C   LIG    1       -6.842  -0.904  -0.139  0.00  0.00    +0.149 A 
ATOM     29  O   LIG    1       -7.521  -1.338   0.946  0.00  0.00    -0.462 OA
ATOM     30  C   LIG    1       -8.661  -1.909   0.457  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1       -8.699  -1.835  -0.922  0.00  0.00    +0.055 A 
ATOM     32  O   LIG    1       -7.475  -0.998  -3.655  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -5.570  -0.236  -0.041  0.00  0.00    +0.044 A 
ATOM     34  C   LIG    1       -4.901   0.040   1.148  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1       -3.667   0.697   1.107  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4