REMARK  Name = BDB056597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.925   0.259   0.013  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -1.757  -0.890   0.704  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.515  -1.311   1.053  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        0.611  -0.559   0.716  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.423   0.628   0.014  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        1.664   1.184  -0.191  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        1.831   2.055  -0.673  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        2.635   0.385   0.354  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        2.012  -0.705   0.922  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -0.848   1.070  -0.354  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.149   0.681   0.320  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        5.138  -0.105   0.862  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        6.315   0.530   0.581  0.00  0.00    -0.262 N 
ATOM     14  N   LIG    1        6.149   1.697  -0.071  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.827   1.777  -0.244  0.00  0.00    +0.144 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.640   0.122   0.989  0.00  0.00    +0.256 C 
BRANCH  16  17
ATOM     17  C   LIG    1        8.182  -0.968   0.108  0.00  0.00    +0.409 C 
ATOM     18  F   LIG    1        7.428  -2.089   0.175  0.00  0.00    -0.169 F 
ATOM     19  F   LIG    1        9.429  -1.313   0.518  0.00  0.00    -0.169 F 
ATOM     20  F   LIG    1        8.278  -0.604  -1.187  0.00  0.00    -0.169 F 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -3.215   0.711  -0.350  0.00  0.00    -0.297 N 
ATOM     22  H   LIG    1       -3.236   0.983  -1.330  0.00  0.00    +0.154 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -5.562   0.343  -0.898  0.00  0.00    +0.141 A 
ATOM     24  C   LIG    1       -4.479   0.164  -0.005  0.00  0.00    +0.075 A 
ATOM     25  C   LIG    1       -4.717  -0.454   1.228  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.988  -0.927   1.557  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.043  -0.770   0.662  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.834  -0.133  -0.562  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.307   1.203  -2.995  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.245   0.987  -2.074  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 6