REMARK  Name = BDB032400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034   1.327  -0.528  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -0.200   2.448  -0.450  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.041   2.446  -1.084  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1        1.802   3.548  -0.999  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        1.498   1.336  -1.797  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.662   0.212  -1.876  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.585   0.206  -1.242  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.358   1.310   0.193  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.345   0.698  -0.637  0.00  0.00    -0.370 OA
BRANCH   9  16
ATOM     10  C   LIG    1       -6.168  -1.851   2.482  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1       -6.063  -0.879   1.406  0.00  0.00    -0.302 N 
ATOM     12  C   LIG    1       -7.170  -0.718   0.579  0.00  0.00    +0.215 C 
ATOM     13  O   LIG    1       -8.242  -1.289   0.777  0.00  0.00    -0.276 OA
ATOM     14  C   LIG    1       -7.047   0.308  -0.530  0.00  0.00    +0.098 C 
ATOM     15  C   LIG    1       -5.656   0.408  -1.124  0.00  0.00    +0.042 C 
ATOM     16  C   LIG    1       -4.630   0.613  -0.017  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1       -4.716  -0.586   0.931  0.00  0.00    +0.139 C 
ENDBRANCH   9  16
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  18
ATOM     18  C   LIG    1        2.841   1.367  -2.480  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.725   0.296  -2.019  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1        3.324  -0.615  -2.211  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.349   0.321  -0.756  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.006  -0.854  -0.261  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.645  -0.832   1.006  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.252  -2.025   1.476  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        6.271  -3.171   0.776  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        5.691  -3.166  -0.434  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        5.660   0.375   1.737  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.085   1.532   1.228  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.063  -2.063  -0.982  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        4.452   1.504  -0.011  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1        6.896  -2.077   2.724  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        6.234  -1.827   3.451  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        7.660  -1.410   2.730  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 7