REMARK  Name = BDB036985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.279   1.764   1.226  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.586   1.299   1.063  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -3.127   0.046   0.495  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.489   0.092   0.646  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.893   1.264   1.212  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -6.022   1.647   1.451  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.487  -0.851  -0.022  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.684   2.020   1.518  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.575   3.235   2.163  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.290   3.723   2.363  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.169   2.996   1.907  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -5.421  -0.882   0.099  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.478  -0.730  -1.424  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.174   0.300  -2.023  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.968  -1.817  -2.114  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.018  -1.716  -3.118  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.264  -3.064  -1.621  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.633  -3.967  -2.366  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.173  -3.240  -0.123  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.112  -2.329   0.477  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  24
ATOM     21  C   LIG    1        2.297   1.652  -0.648  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1        2.127   2.002   0.835  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        1.104   1.098   1.513  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1       -0.160   1.088   0.774  0.00  0.00    -0.329 N 
ATOM     25  C   LIG    1       -0.076   0.729  -0.647  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        0.942   1.619  -1.360  0.00  0.00    +0.041 C 
BRANCH  21  28
ATOM     27  C   LIG    1        4.382   0.320  -0.700  0.00  0.00    +0.401 C 
ATOM     28  N   LIG    1        3.029   0.408  -0.834  0.00  0.00    -0.278 N 
ATOM     29  H   LIG    1        2.548  -0.482  -0.841  0.00  0.00    +0.152 HD
ATOM     30  O   LIG    1        5.131   1.266  -0.521  0.00  0.00    -0.226 OA
BRANCH  27  31
ATOM     31  O   LIG    1        4.737  -0.982  -0.779  0.00  0.00    -0.445 OA
BRANCH  31  33
ATOM     32  C   LIG    1        6.111  -2.907  -0.809  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        6.128  -1.378  -0.663  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1        6.694  -1.025   0.717  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        6.973  -0.788  -1.797  0.00  0.00    +0.055 C 
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  21  28
ENDBRANCH   1  24
TORSDOF 5