REMARK  Name = BDB023967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.066   4.673  -3.203  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.058   3.613  -2.843  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.537   2.436  -2.282  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.465   1.380  -2.042  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.056   0.366  -1.085  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.559  -0.762  -0.477  0.00  0.00    +0.096 A 
ATOM      7  N   LIG    1       -0.324  -1.433   0.280  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.471  -0.733   0.193  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.362   0.336  -0.642  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.409   1.309  -1.033  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.958   2.027  -2.322  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.143   3.810  -3.036  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.904  -1.195  -0.639  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        3.083  -0.254  -0.493  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1        4.308  -1.248  -0.539  0.00  0.00    +0.200 C 
ATOM     16  N   LIG    1        5.051  -1.432   0.707  0.00  0.00    -0.268 NA
ATOM     17  C   LIG    1        4.815  -0.658   1.701  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1        3.841   0.442   1.784  0.00  0.00    +0.069 C 
ATOM     19  N   LIG    1        3.712  -2.515  -0.961  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1        4.111  -3.305  -0.459  0.00  0.00    +0.148 HD
ATOM     21  C   LIG    1        3.024   0.610   0.735  0.00  0.00    -0.001 C 
ATOM     22  C   LIG    1        2.341  -2.439  -0.863  0.00  0.00    +0.075 C 
BRANCH  18  23
ATOM     23  C   LIG    1        3.859   1.218   3.050  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1        5.061   1.816   3.251  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        3.628   0.431   4.130  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        2.925   2.203   3.075  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.645  -1.180   0.930  0.00  0.00    +0.112 C 
ATOM     28  C   LIG    1       -3.286  -2.409   0.270  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -4.055  -3.246   1.283  0.00  0.00    +0.162 C 
ATOM     30  O   LIG    1       -4.618  -2.395   2.276  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -3.626  -1.839   3.142  0.00  0.00    +0.162 C 
ATOM     32  C   LIG    1       -2.348  -1.444   2.408  0.00  0.00    +0.055 C 
ENDBRANCH   8  27
TORSDOF 3