REMARK  Name = BDB002095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.244   0.606   0.168  0.00  0.00    -0.256 N 
ATOM      2  H   LIG    1        0.493   1.151   0.979  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.923  -0.133   1.294  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -5.160  -0.567   0.210  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.771  -0.299   0.137  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.147   0.412   1.165  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -1.841   0.700   1.163  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1       -1.101   0.285   0.128  0.00  0.00    +0.222 A 
ATOM      9  N   LIG    1       -1.601  -0.404  -0.911  0.00  0.00    -0.219 NA
ATOM     10  C   LIG    1       -3.924   0.837   2.236  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -2.922  -0.691  -0.903  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.424  -1.463  -2.090  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -5.298   0.574   2.313  0.00  0.00    +0.048 A 
BRANCH   3  14
ATOM     14  O   LIG    1       -7.247  -0.462   1.233  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -9.486  -0.525   2.046  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -8.072  -0.046   2.321  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1        1.224   0.333  -0.728  0.00  0.00    +0.189 C 
ATOM     18  N   LIG    1        0.938  -0.400  -1.847  0.00  0.00    -0.258 N 
ATOM     19  H   LIG    1       -0.031  -0.647  -2.018  0.00  0.00    +0.157 HD
ATOM     20  C   LIG    1        1.876  -0.979  -2.655  0.00  0.00    +0.222 C 
ATOM     21  O   LIG    1        1.567  -1.673  -3.619  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        3.292  -0.792  -2.203  0.00  0.00    +0.127 C 
ATOM     23  C   LIG    1        3.411   0.587  -1.576  0.00  0.00    +0.147 C 
ATOM     24  N   LIG    1        2.417   0.775  -0.503  0.00  0.00    -0.247 NA
BRANCH  23  25
ATOM     25  C   LIG    1        4.829   0.809  -1.075  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        5.792   1.377  -1.920  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        7.105   1.558  -1.477  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.484   1.176  -0.189  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        6.534   0.605   0.657  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.218   0.421   0.215  0.00  0.00    +0.009 A 
BRANCH  28  31
ATOM     31  O   LIG    1        8.797   1.409   0.114  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1        9.221   1.068   1.428  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   1  17
TORSDOF 6