REMARK  Name = BDB036990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049  -1.592   0.855  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.163  -1.441   0.193  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.326  -0.619   0.531  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.248  -0.805  -0.462  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -2.766  -1.626  -1.443  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -3.301  -1.964  -2.482  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.396   0.106   1.508  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.437  -2.056  -1.017  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.535  -2.894  -1.636  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.679  -3.105  -0.983  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.963  -2.465   0.245  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.491  -0.061  -0.590  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.179   1.392  -0.969  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.119   1.761  -1.471  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.199   2.292  -0.757  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.998   3.251  -1.007  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.352   2.096  -0.038  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.115   3.028   0.201  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.651   0.678   0.390  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.371  -0.100   0.656  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        0.310  -0.947   2.066  0.00  0.00    -0.341 N 
ATOM     22  H   LIG    1       -0.487  -0.371   2.353  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.593  -0.243   2.238  0.00  0.00    +0.124 C 
BRANCH  23  26
ATOM     24  C   LIG    1        2.506   0.512  -0.811  0.00  0.00    +0.404 C 
ATOM     25  N   LIG    1        1.587   1.075   0.044  0.00  0.00    -0.263 N 
ATOM     26  C   LIG    1        1.700   1.120   1.504  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1        0.628   2.137   1.935  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1        0.427   2.997   0.692  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1        0.580   1.998  -0.443  0.00  0.00    +0.111 C 
ATOM     30  O   LIG    1        2.424   0.574  -2.030  0.00  0.00    -0.226 OA
BRANCH  24  31
ATOM     31  O   LIG    1        3.527  -0.074  -0.135  0.00  0.00    -0.445 OA
BRANCH  31  33
ATOM     32  C   LIG    1        4.307  -1.777  -1.747  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        4.681  -0.604  -0.837  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1        5.419   0.501  -1.602  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        5.603  -1.125   0.277  0.00  0.00    +0.055 C 
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6