REMARK  Name = BDB014592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.435   1.951   1.790  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.020   1.725   0.734  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.475   2.008  -0.498  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.037   1.792  -1.317  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.837   2.606  -0.672  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.952   1.567  -0.898  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.561   0.725  -1.995  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.812   0.193  -1.672  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.253   0.732   0.375  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.471  -0.104   0.388  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.702   0.698   0.475  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.967  -0.138   0.463  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.957  -1.455  -0.030  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.146  -2.197  -0.059  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.342  -1.627   0.374  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.360  -0.316   0.844  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.657  -2.086  -0.462  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.179   0.427   0.887  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.559  -1.048  -0.731  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        2.422   1.116   0.687  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.759   0.743  -0.649  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.990   0.178  -0.841  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.950  -0.054   0.146  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        6.189  -0.645  -0.168  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.446  -0.996  -1.501  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.489  -0.766  -2.491  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.268  -0.182  -2.160  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.160  -0.865   0.912  0.00  0.00    +0.138 A 
ATOM     29  N   LIG    1        8.361  -1.525   0.771  0.00  0.00    -0.344 N 
ATOM     30  H   LIG    1        8.710  -1.936  -0.082  0.00  0.00    +0.167 HD
ATOM     31  C   LIG    1        8.995  -1.539   1.982  0.00  0.00    +0.104 A 
ATOM     32  C   LIG    1        8.145  -0.880   2.833  0.00  0.00    +0.130 A 
ATOM     33  N   LIG    1        7.020  -0.471   2.167  0.00  0.00    -0.236 NA
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9