REMARK  Name = BDB012755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.556   0.167   0.408  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.207  -1.115   0.078  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.605  -0.702   0.021  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.600  -1.652  -0.118  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.309  -2.846  -0.209  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.706   0.745  -0.094  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.277   1.225  -0.323  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.871  -0.035  -3.163  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1       -3.586   0.012  -1.691  0.00  0.00    +0.042 A 
ATOM     10  N   LIG    1       -2.287   0.080  -1.317  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.004   0.116   0.005  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -3.001   0.082   0.973  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.335   0.019   0.578  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -4.634  -0.021  -0.777  0.00  0.00    +0.068 A 
BRANCH  13  15
ATOM     15  O   LIG    1       -5.228  -0.011   1.612  0.00  0.00    -0.489 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -6.631   0.043   1.330  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1       -7.298   0.678   2.549  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.173  -1.367   1.115  0.00  0.00    +0.051 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        3.986  -1.249  -0.166  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1        4.942  -2.137  -0.589  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1        4.784  -3.095  -0.887  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        6.192  -1.649  -0.598  0.00  0.00    -0.178 NA
ATOM     23  C   LIG    1        6.056  -0.407  -0.124  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1        4.699  -0.115   0.169  0.00  0.00    +0.057 A 
BRANCH  23  25
ATOM     25  C   LIG    1        7.261   0.474   0.044  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        7.160   1.734  -0.818  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        7.488   0.844   1.511  0.00  0.00    +0.014 C 
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 5