REMARK  Name = BDB013388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.118   2.354   0.188  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -0.164   1.458   1.232  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.159   0.479   1.094  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.922   0.365  -0.074  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.958  -0.691  -0.155  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -3.824  -0.782  -1.391  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.037  -1.704  -1.237  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -4.660  -2.991  -0.520  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -4.097  -2.690   0.869  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -3.112  -1.551   0.875  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.286  -1.425   2.113  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -2.418  -2.192   3.062  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.649   1.257  -1.115  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -1.371  -0.414   2.147  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -0.826  -0.351   2.995  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -0.649   2.231  -0.987  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        1.864   3.544   1.682  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        1.231   3.418   0.275  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.645   4.761  -0.029  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        0.215   5.811  -0.276  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.359   3.161  -0.780  0.00  0.00    +0.067 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.239   1.926  -0.556  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.439   0.753  -0.627  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.023  -0.435  -0.294  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        4.385  -0.647  -0.082  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        4.851  -1.924   0.254  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        3.959  -2.994   0.376  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        2.596  -2.783   0.158  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        2.135  -1.509  -0.180  0.00  0.00    +0.047 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.443  -4.300   0.720  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        4.842  -5.354   0.997  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 7