REMARK  Name = BDB014964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.043  -0.985  -0.347  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.004  -1.899  -0.788  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.693  -5.088  -0.809  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.677  -3.949  -0.708  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.156  -2.675  -0.512  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.719  -2.379  -0.683  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.369  -1.062  -0.086  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.115  -0.418   0.067  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.273   0.774   0.648  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.596   0.902   0.874  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.295  -0.183   0.438  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.755  -0.452   0.493  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.095  -1.535  -0.550  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.885  -4.172  -0.786  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.056   2.126   1.488  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.915   2.999   0.585  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -4.953   3.574   1.401  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -4.654   3.273   2.769  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -3.890   1.971   2.746  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.384  -0.539  -0.288  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.385  -1.359  -0.838  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.031  -2.530  -1.394  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.731  -1.002  -0.832  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.120   0.212  -0.264  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.143   1.043   0.295  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.791   0.670   0.281  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.514   0.608  -0.257  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        6.154   1.816  -0.667  0.00  0.00    +0.136 A 
ATOM     29  N   LIG    1        7.486   1.741  -0.480  0.00  0.00    -0.170 NA
ATOM     30  N   LIG    1        7.682   0.524   0.051  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1        9.020   0.113   0.402  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.537  -0.200   0.191  0.00  0.00    +0.117 A 
BRANCH  28  33
ATOM     33  C   LIG    1        5.498   3.028  -1.262  0.00  0.00    +0.392 C 
ATOM     34  F   LIG    1        6.386   3.907  -1.805  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1        4.804   3.729  -0.321  0.00  0.00    -0.202 F 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 5