REMARK  Name = BDB012887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.513  -1.176  -0.179  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -2.581  -1.788   0.579  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -1.389  -1.167   0.747  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.125   0.075   0.171  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.101   0.696  -0.615  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.322   0.048  -0.792  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.399  -1.914   1.617  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        1.084  -1.630   1.349  0.00  0.00    +0.117 C 
ATOM      9  N   LIG    1        1.451  -0.573   2.291  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        2.449   0.378   2.136  0.00  0.00    +0.264 C 
ATOM     11  O   LIG    1        2.439   1.412   2.800  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        0.387  -0.347   3.258  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -0.546  -1.539   3.096  0.00  0.00    +0.030 C 
BRANCH  10  14
ATOM     14  C   LIG    1        3.469   0.122   1.154  0.00  0.00    +0.121 A 
ATOM     15  N   LIG    1        4.088  -1.075   0.934  0.00  0.00    -0.272 N 
ATOM     16  H   LIG    1        3.944  -1.948   1.429  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1        4.990  -1.054  -0.060  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        5.026   0.230  -0.437  0.00  0.00    +0.066 A 
ATOM     19  C   LIG    1        4.107   1.007   0.308  0.00  0.00    +0.057 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.964   0.675  -1.522  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1        6.982   1.694  -1.005  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        5.204   1.240  -2.725  0.00  0.00    +0.014 C 
ENDBRANCH  18  20
ENDBRANCH  10  14
ENDBRANCH   3   7
BRANCH   5  23
ATOM     23  C   LIG    1       -1.831   1.984  -1.233  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.784   2.921  -1.577  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -2.108   3.980  -2.112  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1       -2.673   5.209  -2.614  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1       -0.776   3.804  -2.145  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -0.609   2.594  -1.606  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
BRANCH   1  29
ATOM     29  O   LIG    1       -4.737  -1.775  -0.393  0.00  0.00    -0.474 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -4.388  -4.169  -0.583  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.934  -3.029   0.274  0.00  0.00    +0.169 C 
ATOM     32  C   LIG    1       -6.441  -3.192   0.460  0.00  0.00    +0.051 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 6