REMARK  Name = BDB012843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.292  -1.815   1.388  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.811  -1.656   1.399  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        2.265  -2.493   0.293  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        3.425  -2.395  -0.450  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.836  -3.349  -1.109  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.292  -3.526  -0.004  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.139  -3.284   0.967  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        0.466   1.242  -2.471  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.343   0.568  -1.401  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        0.314  -0.245  -0.536  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -0.410  -0.860   0.435  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -1.783  -0.661   0.576  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -2.446   0.198  -0.302  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -1.707   0.821  -1.307  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.875   0.434  -0.190  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.599   0.408   0.985  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1       -5.893   0.700   0.650  0.00  0.00    -0.268 N 
ATOM     18  N   LIG    1       -6.063   0.916  -0.668  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -4.838   0.757  -1.174  0.00  0.00    +0.142 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -7.026   0.794   1.566  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -7.613   2.205   1.586  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -8.093  -0.251   1.244  0.00  0.00    +0.032 C 
ENDBRANCH  17  20
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  C   LIG    1        4.097  -1.123  -0.463  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        3.465   0.085  -0.577  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1        2.461   0.244  -0.633  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        4.298   1.139  -0.604  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        5.518   0.585  -0.583  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        5.443  -0.826  -0.513  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.758   1.431  -0.639  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        6.864   2.366   0.567  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        6.846   2.223  -1.946  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5