REMARK  Name = BDB031051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123   1.303  -1.610  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.039   1.740  -1.075  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.183   1.225  -1.559  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.205   0.296  -2.591  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.001  -0.131  -3.144  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.190   0.381  -2.646  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.693  -0.607   0.326  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -2.565  -0.157  -0.261  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -2.365   1.213  -0.451  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.285   2.175  -0.038  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -2.856   3.395  -0.269  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -1.625   3.233  -0.849  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -4.491   1.711   0.555  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.306   1.899  -1.021  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.691   0.391   0.725  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -4.816  -2.718  -0.514  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.016  -2.034   0.569  0.00  0.00    -0.006 C 
ATOM     18  C   LIG    1       -4.249  -2.470   2.004  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -2.984  -2.868   1.308  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        3.347   1.692  -0.951  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        3.014   2.397  -0.290  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.162   0.661  -0.286  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        3.510   0.138   1.003  0.00  0.00    +0.128 C 
ATOM     24  C   LIG    1        4.436   0.581   2.126  0.00  0.00    +0.095 C 
ATOM     25  N   LIG    1        5.749   0.698   1.501  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1        6.370   1.292   2.050  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.486   1.293   0.190  0.00  0.00    +0.103 C 
BRANCH  23  28
ATOM     28  C   LIG    1        3.384  -1.367   0.955  0.00  0.00    +0.396 C 
ATOM     29  F   LIG    1        4.559  -1.996   0.756  0.00  0.00    -0.170 F 
ATOM     30  F   LIG    1        2.854  -1.841   2.107  0.00  0.00    -0.170 F 
ATOM     31  F   LIG    1        2.552  -1.749  -0.043  0.00  0.00    -0.170 F 
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5