REMARK  Name = BDB005635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.518  -0.619  -1.278  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.163  -0.239  -0.086  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.341   0.069   1.013  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.913   0.431   2.237  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.328   0.655   3.030  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.257   0.515   2.454  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -4.143   0.208   1.301  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.627   0.329   1.534  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.464  -0.291   0.409  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.870   0.034  -0.957  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.479  -0.389  -0.975  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -4.006  -0.289  -1.875  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.706   0.840   3.549  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.055   0.028   0.923  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.681  -0.311  -0.283  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -3.635  -0.141   0.101  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.119  -0.634  -1.384  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -2.326  -2.353  -2.549  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -2.233  -0.931  -2.413  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.193  -0.348  -0.386  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.824   0.931  -0.008  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        2.584   1.987  -0.997  0.00  0.00    +0.124 C 
BRANCH  21  23
ATOM     23  N   LIG    1        4.259   0.861   0.274  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        4.492   0.461   1.674  0.00  0.00    +0.130 C 
ATOM     25  C   LIG    1        5.993   0.499   1.996  0.00  0.00    +0.176 C 
ATOM     26  O   LIG    1        6.743  -0.334   1.100  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.541   0.091  -0.255  0.00  0.00    +0.176 C 
ATOM     28  C   LIG    1        5.055   0.022  -0.641  0.00  0.00    +0.130 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4