REMARK  Name = BDB012673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.702  -0.415  -0.455  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        1.661  -1.226   0.644  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.332  -1.207   1.060  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.036  -1.964   2.194  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.940  -2.710   2.870  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.263  -2.707   2.433  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.336  -0.345   0.135  0.00  0.00    +0.153 A 
ATOM      8  C   LIG    1        2.636  -1.964   1.315  0.00  0.00    +0.149 A 
ATOM      9  F   LIG    1        3.912  -1.965   0.909  0.00  0.00    -0.203 F 
ATOM     10  N   LIG    1        0.514   0.129  -0.778  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.663  -0.087   0.235  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.162  -0.540   1.004  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.530   0.718  -0.542  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -3.904   0.830  -0.234  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.750   1.631  -1.014  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.208   2.307  -2.087  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -2.909   2.236  -2.424  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.110   1.452  -1.651  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.466   0.092   0.928  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -3.835  -0.632   1.680  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.785   0.290   1.102  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.014  -0.248   1.889  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.863  -0.104  -1.271  0.00  0.00    +0.144 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.857   1.398  -1.586  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.648   1.083  -0.720  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6