REMARK  Name = BDB018938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.677  -0.098  -1.782  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.625  -0.099  -1.212  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.728   0.458  -1.885  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.001   0.441  -1.290  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.215  -0.158  -0.041  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.140  -0.772   0.619  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.569   1.124  -3.226  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.274   0.707  -3.903  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.863  -0.729   0.023  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.870   0.835  -2.909  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.495  -2.272  -2.398  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -2.805  -1.263  -1.325  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -1.884  -0.212  -1.029  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.168   0.717  -0.009  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -3.356   0.577   0.675  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1       -3.893   1.340   1.720  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -5.143   0.798   2.090  0.00  0.00    +0.330 A 
ATOM     18  N   LIG    1       -5.356  -0.310   1.240  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -6.499  -1.173   1.267  0.00  0.00    +0.154 C 
ATOM     20  O   LIG    1       -5.889   1.204   2.967  0.00  0.00    -0.246 OA
ATOM     21  C   LIG    1       -3.259   2.471   2.330  0.00  0.00    +0.154 C 
ATOM     22  C   LIG    1       -4.259  -0.443   0.379  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1       -4.012  -1.371  -0.610  0.00  0.00    +0.033 A 
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        4.556  -0.136   0.506  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.909   0.448   1.703  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.257   0.273   1.827  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.093   0.707   2.919  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.811  -0.376   0.785  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.775  -0.611  -0.026  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.301  -1.469   1.947  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        1.274  -2.324   2.232  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.341  -0.596   2.993  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3