REMARK  Name = BDB018371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828   1.920   0.719  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.638   2.118   0.880  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.098   3.339   1.224  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1        0.269   4.414   1.478  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.863   5.676   1.885  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.108   4.285   1.461  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -1.905   5.175   1.748  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.624   2.960   1.043  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -2.934  -1.044  -0.236  0.00  0.00    +0.166 C 
ATOM     10  C   LIG    1       -2.777   0.295   0.459  0.00  0.00    +0.133 C 
ATOM     11  N   LIG    1       -1.378   0.712   0.242  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.717  -0.249  -0.650  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -1.860  -1.010  -1.310  0.00  0.00    +0.048 C 
BRANCH   9  14
ATOM     14  S   LIG    1       -2.743  -2.428   0.875  0.00  0.00    +0.034 S 
ATOM     15  O   LIG    1       -1.586  -2.269   1.723  0.00  0.00    -0.158 OA
ATOM     16  O   LIG    1       -2.954  -3.636   0.106  0.00  0.00    -0.158 OA
BRANCH  14  18
ATOM     17  C   LIG    1       -3.931  -2.008   3.256  0.00  0.00    +0.127 C 
ATOM     18  N   LIG    1       -4.133  -2.296   1.829  0.00  0.00    -0.197 NA
ATOM     19  H   LIG    1       -4.733  -3.106   1.654  0.00  0.00    +0.147 HD
ENDBRANCH  14  18
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  C   LIG    1        1.587   1.054   0.776  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.494   0.862  -0.241  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        3.122  -0.320   0.046  0.00  0.00    -0.267 N 
ATOM     23  N   LIG    1        2.778  -0.830   1.249  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        1.813  -0.009   1.674  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.029  -1.054  -0.826  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.272  -1.740  -1.939  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1        3.444  -1.345  -3.273  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.725  -1.972  -4.293  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.830  -2.997  -3.992  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.653  -3.400  -2.671  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.371  -2.778  -1.650  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 6