REMARK  Name = BDB008932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345   1.888   2.520  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.553   1.671   1.846  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.454   0.710   2.321  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.131  -0.002   3.489  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.933   0.239   4.169  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.035   1.190   3.689  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.626   3.995   2.466  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.615   2.869   1.981  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.434   2.464   0.934  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.312   3.459   0.315  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        2.723   3.078  -1.113  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.331   1.745  -1.189  0.00  0.00    -0.292 N 
ATOM     13  C   LIG    1        4.182   1.470  -2.264  0.00  0.00    +0.285 C 
ATOM     14  O   LIG    1        4.276   2.278  -3.190  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        2.869   0.757  -0.204  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.498   1.099   0.401  0.00  0.00    +0.127 C 
BRANCH  13  17
ATOM     17  C   LIG    1        4.943   0.238  -2.284  0.00  0.00    +0.222 A 
ATOM     18  O   LIG    1        5.161  -0.476  -1.142  0.00  0.00    -0.350 OA
ATOM     19  N   LIG    1        5.920  -1.599  -1.425  0.00  0.00    -0.086 NA
ATOM     20  C   LIG    1        6.194  -1.518  -2.729  0.00  0.00    +0.157 A 
ATOM     21  C   LIG    1        5.612  -0.384  -3.318  0.00  0.00    +0.077 A 
ENDBRANCH  13  17
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -3.767   0.473   1.613  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.953  -0.966   1.141  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -3.196  -1.462  -0.052  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.278  -0.557  -0.823  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -1.900  -1.107  -2.202  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -1.540  -2.586  -2.120  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -2.708  -3.405  -1.568  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -3.395  -2.745  -0.402  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.331  -3.594   0.378  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.523  -4.771   0.095  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.964  -2.982   1.424  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -5.606  -3.546   1.973  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.784  -1.696   1.825  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4