REMARK  Name = BDB040811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.842   0.516   1.494  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.458  -0.545   2.384  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.020   0.000   2.290  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.504   0.667   0.988  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.472   0.859  -0.690  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.402   0.120   0.492  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -6.501  -0.487   0.962  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -4.214   0.002   1.214  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.043   0.622   0.766  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.109   1.378  -0.409  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.305   1.486  -1.120  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -4.319   2.227  -2.238  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -10.793   0.367  -2.169  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.608   0.557  -1.907  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -8.689  -0.456  -2.011  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.051  -1.352  -2.306  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.321  -0.375  -1.890  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -6.620  -1.344  -2.175  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.755   0.984  -1.480  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -7.801   1.797  -0.711  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -9.071   1.917  -1.538  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.030  -1.021   2.139  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        0.897  -1.982   2.425  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.261  -0.741   1.627  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.623   0.355   1.228  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.011  -1.869   1.628  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.317  -1.727   1.121  0.00  0.00    +0.118 C 
ATOM     28  C   LIG    1        5.366  -2.865   1.020  0.00  0.00    +0.064 C 
ATOM     29  C   LIG    1        6.117  -1.612   0.441  0.00  0.00    +0.058 C 
ATOM     30  C   LIG    1        4.771  -1.328  -0.307  0.00  0.00    +0.064 C 
ATOM     31  C   LIG    1        5.480  -0.848   1.649  0.00  0.00    +0.064 C 
BRANCH  29  32
ATOM     32  C   LIG    1        7.527  -1.582  -0.053  0.00  0.00    +0.222 C 
ATOM     33  N   LIG    1        7.884  -0.505  -0.829  0.00  0.00    -0.301 N 
ATOM     34  C   LIG    1        9.245  -0.079  -1.129  0.00  0.00    +0.109 C 
ATOM     35  C   LIG    1        8.625   1.236  -1.612  0.00  0.00    +0.038 C 
ATOM     36  C   LIG    1        7.345   0.844  -0.865  0.00  0.00    +0.109 C 
ATOM     37  O   LIG    1        8.334  -2.482   0.203  0.00  0.00    -0.275 OA
ENDBRANCH  29  32
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 6