REMARK  Name = BDB061701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.529  -1.200   0.775  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -1.712  -0.819  -0.251  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1       -0.466  -0.392   0.030  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.015  -0.330   1.341  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.317   0.121   1.531  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1        2.137   0.503   0.529  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1        1.663   0.456  -0.730  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.829  -0.724   2.389  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.373   0.002  -0.998  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -2.117  -1.163   2.104  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.938  -1.664   0.374  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -4.117  -3.128   0.804  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1       -8.376   1.655   0.167  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -7.039   1.238  -0.246  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -6.039   1.605   0.762  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -4.769   0.766   0.638  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -5.050  -0.727   0.944  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -6.479  -1.096   0.472  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -6.989  -0.176  -0.637  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1       -4.041  -1.656  -1.062  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1       -3.180  -1.307  -1.375  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1        2.467   0.832  -1.829  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1        1.939   1.418  -2.473  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.840   1.180  -1.848  0.00  0.00    +0.073 A 
ATOM     25  C   LIG    1        4.319   1.995  -2.869  0.00  0.00    +0.163 A 
ATOM     26  F   LIG    1        3.479   2.497  -3.788  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        5.664   2.294  -2.920  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1        6.568   1.820  -2.035  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1        6.136   0.994  -1.053  0.00  0.00    +0.123 A 
ATOM     30  C   LIG    1        4.779   0.666  -0.948  0.00  0.00    +0.069 A 
BRANCH  29  31
ATOM     31  N   LIG    1        7.066   0.515  -0.163  0.00  0.00    -0.315 N 
ATOM     32  C   LIG    1        6.875  -0.666   0.668  0.00  0.00    +0.106 C 
ATOM     33  C   LIG    1        8.296  -1.154   0.952  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        9.140   0.104   0.824  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1        8.476   0.836  -0.338  0.00  0.00    +0.106 C 
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6