REMARK  Name = BDB006713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.917   1.588   1.904  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.226   0.342   1.497  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.895   0.163   1.102  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.610   0.857   0.889  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.277  -0.299   0.505  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.456  -1.528   0.467  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.069  -2.650   0.187  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.768  -1.168   0.849  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.966  -1.736   1.057  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.890  -0.833   1.467  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.646  -0.168   0.269  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.426  -1.184  -0.154  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.783  -0.979  -0.384  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.415   0.236  -0.205  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.689   0.118  -0.509  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.913  -1.183  -0.893  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.636   1.343   0.255  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.240   2.703   0.496  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.771  -1.837  -0.815  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.552  -3.266  -1.134  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.315   1.129   0.478  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.866   1.859  -0.213  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -1.050   3.206   0.131  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1       -0.986   3.571   1.420  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.296   4.182  -0.826  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -1.363   3.809  -2.160  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1       -1.599   4.740  -3.093  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -1.189   2.484  -2.543  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -0.943   1.508  -1.574  0.00  0.00    +0.011 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -3.266  -3.170   0.900  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -3.235  -3.853  -0.448  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -4.543  -3.660   0.259  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 3