REMARK  Name = BDB029399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.166   0.305  -0.232  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.093  -0.753  -0.258  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.442  -0.450  -0.278  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.632  -1.362  -0.305  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1        4.799  -0.367  -0.318  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1        4.258   0.913  -0.299  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        4.827   1.746  -0.303  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        5.988  -0.638  -0.340  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.874   0.874  -0.276  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.001   1.938  -0.255  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.634   1.643  -0.234  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -1.362   0.013   2.322  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -2.012  -0.113   0.973  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -1.274   0.027  -0.212  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.973  -0.117  -1.416  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.339  -0.385  -1.404  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -3.984  -0.499  -0.185  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1       -3.348  -0.373   0.989  0.00  0.00    -0.237 NA
BRANCH  17  19
ATOM     19  N   LIG    1       -5.345  -0.787  -0.127  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.601  -0.781   0.858  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.889  -0.121  -0.662  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
ENDBRANCH   1  14
TORSDOF 2