REMARK  Name = BDB049870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.751  -0.887   0.449  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.586  -0.531   0.161  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.678  -1.243   0.681  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.988  -0.827   0.394  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.241   0.283  -0.429  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.161   1.004  -0.961  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.467  -2.453   1.551  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.085  -3.048   1.328  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.850   0.579  -0.660  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.960  -1.949   1.452  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  24
ATOM     11  C   LIG    1       -4.894  -0.227   2.303  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -4.149   0.996   1.773  0.00  0.00    +0.076 C 
ATOM     13  N   LIG    1       -2.974   0.641   1.009  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -2.152   0.396   1.560  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -3.012  -0.094  -0.179  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1       -4.071  -0.108  -1.108  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -3.930  -0.845  -2.303  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.760  -1.536  -2.610  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.705  -1.523  -1.712  0.00  0.00    +0.025 A 
ATOM     20  N   LIG    1       -5.317   0.536  -0.981  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -6.007   0.331  -1.693  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -5.825   1.402  -0.071  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1       -7.003   1.750  -0.204  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -1.822  -0.825  -0.501  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -4.987   1.996   1.014  0.00  0.00    +0.118 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        4.621   0.629  -0.703  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.543   0.969   0.264  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.711   1.216  -0.398  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.965   1.633   0.179  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.626   1.027  -1.727  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.347   0.686  -1.913  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.343   2.215  -1.839  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        2.823   1.900  -3.075  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.196   3.141  -1.320  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 3