REMARK  Name = BDB016954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -2.060   3.158  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.089  -1.502   2.463  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.074  -0.876   1.234  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.398  -0.499   1.031  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        2.184  -0.890   2.104  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.367  -1.488   2.938  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.138  -0.686   0.442  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.758   0.572   0.413  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -2.934   0.706  -0.337  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.500  -0.353  -1.045  0.00  0.00    -0.000 A 
ATOM     11  C   LIG    1       -4.672   0.145  -1.678  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.791   1.477  -1.351  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -2.863  -1.608  -1.012  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -3.734   1.807  -0.545  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1       -3.557   2.724  -0.160  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -1.685  -1.760  -0.269  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  17
ATOM     17  C   LIG    1        1.961   0.204  -0.119  0.00  0.00    +0.092 A 
ATOM     18  N   LIG    1        1.188   0.355  -1.222  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        1.710   1.006  -2.282  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        2.995   1.506  -2.312  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.787   1.320  -1.182  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        3.265   0.678  -0.059  0.00  0.00    +0.045 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.166   1.850  -1.199  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        5.467   2.882  -1.773  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.059   1.061  -0.566  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.721   0.192  -0.278  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4