REMARK  Name = BDB031354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.082   0.161   0.315  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -2.943  -0.110  -1.046  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.698  -0.501  -1.521  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -1.307  -0.803  -2.928  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1        0.041  -1.500  -2.688  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1        0.575  -1.000  -1.405  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1       -0.580  -0.629  -0.691  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -0.708  -0.348   0.657  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -1.958   0.041   1.157  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -6.579   1.198   1.278  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.520   0.740   0.305  0.00  0.00    +0.214 C 
ATOM     12  N   LIG    1       -4.292   0.564   0.918  0.00  0.00    -0.286 N 
ATOM     13  H   LIG    1       -4.249   0.748   1.912  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -5.786   0.582  -0.881  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.593  -1.812  -0.740  0.00  0.00    +0.140 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.569  -0.981   0.072  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1        2.954   0.305  -0.351  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.867   0.978   0.425  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1        4.414   0.424   1.579  0.00  0.00    +0.067 A 
ATOM     20  N   LIG    1        5.294   1.351   2.125  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        5.847   1.254   2.960  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        5.301   2.496   1.314  0.00  0.00    +0.325 A 
ATOM     23  O   LIG    1        5.955   3.508   1.493  0.00  0.00    -0.247 OA
ATOM     24  C   LIG    1        4.078  -0.833   2.018  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        4.410   2.248   0.261  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1        4.209   2.903  -0.476  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        3.147  -1.541   1.247  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3