REMARK  Name = BDB012624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.916  -1.940   1.229  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.178  -1.119   1.169  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.211  -1.921   0.720  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.751  -3.209   0.525  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.522  -3.188   0.843  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.591  -1.499   0.490  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.533  -2.469   0.563  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.816  -2.112   0.358  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.216  -0.818   0.080  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.245   0.181   0.001  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.908  -0.171   0.211  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.645   1.545  -0.296  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.952   1.939  -0.447  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        5.971   3.238  -0.712  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        4.700   3.660  -0.730  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        4.514   4.638  -0.921  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        3.830   2.641  -0.474  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.247  -1.571   1.676  0.00  0.00    +0.160 C 
BRANCH  18  25
ATOM     19  F   LIG    1       -2.316   1.197   1.149  0.00  0.00    -0.201 F 
ATOM     20  C   LIG    1       -3.043   0.409   0.343  0.00  0.00    +0.170 A 
ATOM     21  C   LIG    1       -3.774   0.981  -0.699  0.00  0.00    +0.165 A 
ATOM     22  C   LIG    1       -4.486   0.170  -1.579  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.498  -1.211  -1.385  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.788  -1.781  -0.324  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.050  -0.973   0.555  0.00  0.00    +0.011 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.734   2.329  -0.926  0.00  0.00    -0.403 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.659   3.011  -0.085  0.00  0.00    +0.575 C 
ATOM     28  F   LIG    1       -5.922   2.599  -0.332  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1       -4.590   4.333  -0.351  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -4.379   2.828   1.222  0.00  0.00    -0.133 F 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 6