REMARK  Name = BDB039591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.065  -0.825   0.784  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.728  -0.599   2.201  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.309  -1.139   2.484  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.758  -0.433   1.734  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.230   0.145   0.475  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.955  -0.614  -0.172  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.921  -0.085  -0.640  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.163  -1.002  -1.280  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.917  -1.252  -0.790  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.183  -2.348  -1.510  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.358  -0.581   0.321  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.200   0.345   0.956  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.487   0.602   0.481  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.949   1.848  -1.842  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.713   1.484  -1.195  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.014   2.205  -1.078  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.289   0.161  -1.204  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.971  -0.753  -1.654  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.897  -1.337   1.508  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.161  -0.612   1.109  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.899  -1.031  -0.003  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.471  -2.069  -0.739  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.079  -0.383  -0.367  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1       -5.812  -0.811  -1.494  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1       -5.459  -1.599  -2.027  0.00  0.00    +0.171 HD
ATOM     26  C   LIG    1       -6.986  -0.246  -1.944  0.00  0.00    +0.333 A 
ATOM     27  N   LIG    1       -7.422   0.835  -1.166  0.00  0.00    -0.251 N 
ATOM     28  C   LIG    1       -6.775   1.325  -0.049  0.00  0.00    +0.151 A 
ATOM     29  N   LIG    1       -7.418   2.348   0.477  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -8.519   2.532  -0.319  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1       -8.546   1.613  -1.340  0.00  0.00    +0.117 A 
ATOM     32  O   LIG    1       -7.628  -0.610  -2.918  0.00  0.00    -0.246 OA
ATOM     33  C   LIG    1       -5.543   0.699   0.388  0.00  0.00    +0.044 A 
ATOM     34  C   LIG    1       -4.826   1.127   1.506  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1       -3.644   0.471   1.865  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4