REMARK  Name = BDB012977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.357  -0.617  -0.588  0.00  0.00    +0.126 C 
ATOM      2  C   LIG    1       -1.438  -0.694   0.626  0.00  0.00    +0.135 C 
ATOM      3  N   LIG    1       -0.100  -0.491   0.081  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.996  -0.510   0.931  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.851  -0.719   2.134  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.176   0.106  -1.248  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.651   0.435  -1.453  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -6.182   2.041   0.686  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -5.409   0.829   0.324  0.00  0.00    +0.060 A 
ATOM     10  N   LIG    1       -4.107   0.921   0.036  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1       -3.732  -0.342  -0.243  0.00  0.00    -0.264 N 
ATOM     12  C   LIG    1       -4.761  -1.245  -0.127  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.622  -2.703  -0.357  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.865  -0.502   0.235  0.00  0.00    +0.047 A 
ENDBRANCH   1  11
BRANCH   4  15
ATOM     15  C   LIG    1        2.298  -0.278   0.360  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1        2.749  -0.751  -0.839  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1        2.255  -1.341  -1.497  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        4.003  -0.384  -1.141  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1        4.414   0.286  -0.056  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        3.389   0.362   0.915  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.804   0.848   0.035  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        6.063   1.902  -1.043  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        6.866  -0.252  -0.019  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 3