REMARK  Name = BDB049293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.571   1.062  -0.604  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.664   0.406  -0.581  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.825   1.199  -0.567  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.650   2.580  -0.577  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -2.885   3.164  -0.549  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -3.032   4.163  -0.559  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -3.857   2.197  -0.519  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -0.490   3.264  -0.614  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -3.235   0.960  -0.533  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.596   2.453  -0.643  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.970  -0.295  -0.531  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -3.635  -1.310  -1.437  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.336  -2.518  -1.434  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -5.371  -2.712  -0.528  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -5.720  -1.717   0.379  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -5.018  -0.508   0.376  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -6.027  -3.906  -0.560  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -6.714  -3.902   0.127  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  20
ATOM     19  O   LIG    1        1.832  -0.761  -1.291  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.819   0.266  -0.623  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        2.842   0.764   0.164  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        2.626   1.545   0.771  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.145   0.240   0.300  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.992   0.864   1.227  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        6.299   0.409   1.416  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        6.764  -0.669   0.677  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1        5.943  -1.299  -0.250  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.633  -0.842  -0.438  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  O   LIG    1        8.045  -1.083   0.890  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1        8.223  -1.844   0.313  0.00  0.00    +0.292 HD
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 5