REMARK  Name = BDB011645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.046  -3.130   0.151  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.776  -1.965   0.038  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.285  -1.133  -0.276  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.484  -4.192   0.580  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.082  -1.721   0.362  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.551  -0.303   0.412  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.850   0.637   0.065  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.874  -0.311   0.850  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.295  -1.671   0.937  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.113  -1.973   2.119  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.164  -2.462   0.652  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.302  -3.950   0.625  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.844   0.696   0.417  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.965   0.782  -1.110  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.096   1.720  -1.538  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.342   2.871  -0.561  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.081   3.245   0.206  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.552   2.076   1.040  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.073  -0.667   0.729  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.277  -1.911  -0.049  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.424  -2.308  -0.712  0.00  0.00    +0.196 A 
ATOM     22  O   LIG    1       -3.216  -3.533  -1.263  0.00  0.00    -0.353 OA
ATOM     23  N   LIG    1       -1.940  -3.964  -0.988  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.355  -2.987  -0.277  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.769  -1.738  -0.949  0.00  0.00    +0.322 C 
ATOM     26  O   LIG    1       -4.640  -0.351  -1.290  0.00  0.00    -0.339 OA
ATOM     27  C   LIG    1       -5.825   0.230  -0.730  0.00  0.00    +0.153 C 
ATOM     28  C   LIG    1       -5.972  -0.538   0.569  0.00  0.00    +0.195 C 
ATOM     29  O   LIG    1       -5.549  -1.867   0.247  0.00  0.00    -0.342 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -5.735   1.771  -0.639  0.00  0.00    -0.009 C 
ATOM     31  C   LIG    1       -4.489   2.239   0.133  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -5.649   2.349  -2.067  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -6.992   2.334   0.046  0.00  0.00    +0.013 C 
ENDBRANCH  27  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5