REMARK  Name = BDB012271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.441  -0.388  -0.555  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.268   0.256  -0.141  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        1.044  -0.286  -0.511  0.00  0.00    +0.158 A 
ATOM      4  N   LIG    1        0.973  -1.424  -1.262  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        2.118  -2.022  -1.646  0.00  0.00    +0.114 A 
ATOM      6  C   LIG    1        3.370  -1.548  -1.321  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -0.199   0.329  -0.117  0.00  0.00    -0.182 N 
ATOM      8  C   LIG    1       -0.434   1.486   0.641  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -1.801   1.629   0.730  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -2.322   0.543   0.021  0.00  0.00    +0.070 A 
ATOM     11  N   LIG    1       -1.385  -0.238  -0.501  0.00  0.00    -0.167 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -3.838   0.275  -0.169  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1       -4.372  -1.114   0.073  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.695  -0.011   1.038  0.00  0.00    +0.010 C 
ENDBRANCH  10  12
BRANCH   8  15
ATOM     15  O   LIG    1        0.527   2.255   1.148  0.00  0.00    -0.492 OA
ATOM     16  H   LIG    1        0.101   2.989   1.627  0.00  0.00    +0.294 HD
ENDBRANCH   8  15
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  O   LIG    1        4.893   1.206   0.512  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        4.740   0.200  -0.154  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        5.792  -0.503  -0.609  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        6.569  -0.007  -0.274  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5