REMARK  Name = BDB002358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366  -1.733   0.081  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.935  -0.321   1.356  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.702  -1.181   0.302  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1       -2.240  -1.012  -0.541  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1       -1.126  -0.144   2.268  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -3.277   0.445   1.282  0.00  0.00    +0.161 C 
BRANCH   6   7
ATOM      7  N   LIG    1       -3.566   0.958   2.618  0.00  0.00    -0.302 N 
ATOM      8  H   LIG    1       -2.812   1.483   3.046  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1       -4.368   0.242   3.484  0.00  0.00    +0.230 C 
ATOM     10  O   LIG    1       -5.034  -0.733   3.139  0.00  0.00    -0.274 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.330   0.747   4.942  0.00  0.00    +0.135 C 
ATOM     12  C   LIG    1       -3.174   0.078   5.676  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -5.618   0.463   5.599  0.00  0.00    -0.320 NA
ATOM     14  H   LIG    1       -5.948  -0.444   5.252  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1       -5.484   0.352   6.601  0.00  0.00    +0.119 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   6   7
BRANCH   6  17
ATOM     16  C   LIG    1       -4.613   2.193   0.028  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -3.230   1.563   0.216  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.199   2.655   0.523  0.00  0.00    +0.009 C 
ENDBRANCH   6  17
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1        0.370  -0.748  -0.856  0.00  0.00    +0.234 C 
ATOM     20  N   LIG    1        1.740  -0.719  -0.708  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        2.177  -1.368  -0.065  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.231  -0.067  -1.688  0.00  0.00    -0.274 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.595   0.064  -1.594  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1        3.919   0.421  -0.902  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        4.950   1.004  -1.837  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        4.847   0.851  -3.231  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        5.841   1.394  -4.058  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.938   2.057  -3.510  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.051   2.191  -2.129  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.659   0.171  -3.865  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1        6.064   1.665  -1.296  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        2.874  -0.703  -2.890  0.00  0.00    +0.027 C 
ENDBRANCH  20  23
ENDBRANCH   1  19
BRANCH   1  33
ATOM     33  C   LIG    1       -0.447  -3.169  -0.484  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        0.908  -3.882  -0.443  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -1.028  -3.244  -1.900  0.00  0.00    +0.009 C 
ENDBRANCH   1  33
TORSDOF 9