REMARK  Name = BDB018957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.132  -1.476   1.920  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.092  -0.907   1.490  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.295  -1.638   1.512  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.500  -1.045   1.091  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.538   0.273   0.619  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.357   1.028   0.603  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.333  -3.060   2.005  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.044  -3.693   1.941  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.159   0.424   1.038  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.055  -2.773   2.610  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.434   0.593  -1.037  0.00  0.00    +0.082 A 
ATOM     12  C   LIG    1        3.893  -0.057   0.106  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        4.922  -0.251   1.017  0.00  0.00    +0.157 A 
ATOM     14  N   LIG    1        4.809  -0.815   2.234  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1        3.516  -1.182   2.464  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        2.433  -1.035   1.575  0.00  0.00    +0.145 A 
ATOM     17  N   LIG    1        6.069   0.240   0.461  0.00  0.00    -0.344 N 
ATOM     18  H   LIG    1        6.970   0.226   0.917  0.00  0.00    +0.167 HD
ATOM     19  N   LIG    1        2.620  -0.453   0.367  0.00  0.00    -0.226 NA
ATOM     20  C   LIG    1        5.791   0.752  -0.782  0.00  0.00    +0.099 A 
BRANCH  11  24
ATOM     21  C   LIG    1        1.555   1.159  -3.360  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.388   0.833  -2.236  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        1.984   0.329  -1.449  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.750   1.030  -2.246  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        4.350   1.534  -3.191  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.812   0.805   0.181  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.079   1.260  -1.092  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.389   1.642  -1.090  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -6.136   2.191  -2.196  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.999   1.456   0.096  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.041   0.932   0.864  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.321   2.458   0.127  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.292   2.554  -1.233  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.219   3.141   0.559  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4