REMARK  Name = BDB014588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.960   2.140  -3.891  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.492   1.162  -3.309  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        0.385   1.246  -2.493  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.285   0.510  -1.792  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.129   2.538  -2.090  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.459   2.454  -1.323  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.958   3.779  -1.088  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.099   4.193  -1.958  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.310   1.744   0.045  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -0.908   0.324  -0.038  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -0.473  -0.186   1.278  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -1.594  -0.510   2.244  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.892  -0.787   1.779  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -3.901  -1.122   2.691  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.620  -1.206   4.054  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.331  -0.951   4.516  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.217  -0.661   0.312  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -1.322  -0.608   3.616  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.962  -0.561  -0.567  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.055  -0.236  -3.519  0.00  0.00    +0.133 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.185  -1.044  -2.265  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        2.918  -0.688  -1.085  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.768  -1.730  -0.170  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.342  -1.708   1.107  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        4.089  -0.582   1.462  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.261   0.473   0.570  0.00  0.00    +0.001 A 
ATOM     27  N   LIG    1        1.988  -2.689  -0.770  0.00  0.00    -0.360 N 
ATOM     28  H   LIG    1        1.716  -3.559  -0.335  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        3.687   0.432  -0.706  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        1.623  -2.285  -2.026  0.00  0.00    +0.087 A 
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7