REMARK  Name = BDB000985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055   0.780   0.830  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.170   0.295   0.187  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.372   0.340  -0.805  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.974  -0.328   1.108  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.290  -0.192   2.305  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.839  -0.737   3.474  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.062  -1.415   3.389  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.732  -1.540   2.166  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.205  -0.986   0.988  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.116   0.494   2.121  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.508   2.462  -0.971  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.068   1.508   0.099  0.00  0.00    +0.077 C 
ATOM     13  N   LIG    1       -2.146   0.622  -0.427  0.00  0.00    -0.287 NA
ATOM     14  C   LIG    1       -2.919   0.206   0.759  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -2.928   1.416   1.678  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -1.883   2.359   1.100  0.00  0.00    +0.031 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -1.685  -0.566  -1.158  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1       -1.255  -0.200  -2.602  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -2.013  -1.463  -3.061  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -2.905  -1.272  -1.818  0.00  0.00    +0.019 C 
ENDBRANCH  13  17
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        3.853  -1.072  -0.345  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        3.251  -0.743  -1.363  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        5.150  -1.492  -0.406  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        5.596  -1.440  -1.314  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.753  -1.545   0.401  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 3