REMARK  Name = BDB032391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.468  -1.354   0.769  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1        0.947  -0.348   1.593  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.342   0.135   1.383  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1       -0.799   1.111   2.181  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -1.154  -0.373   0.368  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.631  -1.378  -0.460  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.663  -1.870  -0.256  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.857  -1.896   1.001  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1        3.793  -0.841   1.227  0.00  0.00    -0.372 OA
BRANCH   9  15
ATOM     10  C   LIG    1        9.118   0.534  -0.508  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        8.008   1.329   0.131  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1        6.963   0.615   0.698  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1        5.832   1.341   1.267  0.00  0.00    +0.110 C 
ATOM     14  C   LIG    1        4.623   1.230   0.341  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        4.290  -0.236   0.026  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1        5.534  -0.991  -0.467  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        6.711  -0.809   0.492  0.00  0.00    +0.110 C 
ATOM     18  O   LIG    1        8.058   2.559   0.136  0.00  0.00    -0.276 OA
ENDBRANCH   9  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  19
ATOM     19  C   LIG    1       -2.535   0.188   0.142  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.502  -0.899   0.015  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -3.366  -1.607   0.735  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.861  -0.603  -0.148  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -5.339   0.606  -0.667  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -6.715   0.834  -0.883  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -7.646  -0.186  -0.611  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -9.008   0.093  -0.854  0.00  0.00    +0.124 A 
ATOM     27  N   LIG    1       -9.458   1.278  -1.307  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -8.539   2.232  -1.552  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -7.161  -1.415  -0.120  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1       -7.179   2.062  -1.366  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -5.793  -1.619   0.090  0.00  0.00    +0.023 A 
BRANCH  26  32
ATOM     32  N   LIG    1      -10.008  -0.861  -0.632  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1      -10.880  -0.421  -0.918  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -9.823  -1.698  -1.171  0.00  0.00    +0.144 HD
ENDBRANCH  26  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7