REMARK  Name = BDB047626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.077   1.971  -1.856  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.045   0.931  -0.731  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.657   0.715  -0.351  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.024   0.798  -1.160  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.318  -0.435   0.391  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.177  -1.086   1.307  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.715  -2.221   2.009  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.417  -2.701   1.866  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.459  -2.043   1.020  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.506  -0.737   1.629  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.999  -1.360   2.257  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.296   0.316   1.306  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.442   0.340   1.768  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.026  -0.913   0.306  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -3.794   1.450   0.475  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.010  -0.253  -0.603  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        2.300  -0.155  -0.129  0.00  0.00    -0.304 N 
ATOM     18  H   LIG    1        2.452  -0.265   0.866  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        0.657   0.189  -1.692  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.278   0.624  -0.853  0.00  0.00    +0.180 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.616   0.336  -0.302  0.00  0.00    +0.142 A 
ATOM     22  O   LIG    1        4.856   0.671   1.006  0.00  0.00    -0.446 OA
ATOM     23  C   LIG    1        6.149   0.293   1.205  0.00  0.00    +0.308 A 
ATOM     24  N   LIG    1        6.738  -0.249   0.164  0.00  0.00    -0.224 NA
ATOM     25  C   LIG    1        5.767  -0.225  -0.805  0.00  0.00    +0.157 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3