REMARK  Name = BDB018427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.814  -1.786   0.457  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.480  -2.333   0.153  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.295  -3.659   0.310  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        1.293  -4.509   0.755  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.984  -5.921   0.914  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        2.562  -4.051   1.088  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        3.478  -4.751   1.507  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.791  -2.598   0.900  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.841   2.257  -0.169  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1        2.735   1.448  -1.245  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        2.411   0.156  -0.998  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.193  -0.371   0.273  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.318   0.498   1.360  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.644   1.834   1.136  0.00  0.00    +0.068 A 
BRANCH   9  16
ATOM     15  C   LIG    1        3.337   3.954  -1.701  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1        3.163   3.590  -0.336  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.596  -1.499  -0.295  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.039  -0.338   0.296  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -2.071   0.154  -0.472  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1       -2.317  -0.671  -1.529  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -1.430  -1.659  -1.411  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.844   1.342  -0.309  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1       -2.884   2.099   0.873  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -3.606   3.303   0.928  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -4.319   3.747  -0.182  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.323   2.987  -1.348  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.595   1.795  -1.412  0.00  0.00    +0.028 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.303   1.668   2.153  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -1.337   2.197   2.667  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -2.994   0.641   2.688  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -3.794   0.379   2.189  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 6