REMARK  Name = BDB003084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.703  -0.051   0.180  0.00  0.00    +0.160 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.374   0.677  -0.126  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        0.744  -0.075   0.194  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        0.580  -0.967   0.645  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1       -0.375   1.800  -0.626  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.099   0.268   0.002  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.057  -0.659   0.436  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        4.418  -0.398   0.273  0.00  0.00    +0.164 A 
ATOM      9  O   LIG    1        5.286  -1.369   0.706  0.00  0.00    -0.485 OA
ATOM     10  C   LIG    1        6.606  -1.155   0.190  0.00  0.00    +0.270 C 
ATOM     11  C   LIG    1        7.008   0.303   0.331  0.00  0.00    +0.270 C 
ATOM     12  O   LIG    1        6.157   1.141  -0.459  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1        4.838   0.804  -0.299  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1        3.895   1.722  -0.746  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.529   1.456  -0.595  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  N   LIG    1       -2.691   0.981   0.471  0.00  0.00    -0.297 N 
ATOM     17  H   LIG    1       -2.558   1.905   0.065  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1       -3.805   0.757   1.243  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1       -4.031  -0.336   1.758  0.00  0.00    -0.267 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -4.670   1.908   1.387  0.00  0.00    +0.189 A 
ATOM     21  O   LIG    1       -4.337   3.086   0.767  0.00  0.00    -0.458 OA
ATOM     22  C   LIG    1       -5.309   3.985   1.067  0.00  0.00    +0.196 A 
ATOM     23  C   LIG    1       -6.267   3.412   1.868  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -5.857   2.073   2.075  0.00  0.00    +0.054 A 
ENDBRANCH  18  20
ENDBRANCH   1  16
BRANCH   1  25
ATOM     25  C   LIG    1       -2.164  -0.902  -1.015  0.00  0.00    +0.034 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -1.412  -3.174  -0.129  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.346  -2.180  -1.289  0.00  0.00    -0.015 C 
ATOM     28  C   LIG    1       -1.857  -2.852  -2.568  0.00  0.00    +0.007 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 6