REMARK  Name = BDB008387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.686   0.496  -1.222  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1       -0.011  -0.125  -0.806  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.358   1.088  -2.424  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        1.090   1.833  -3.069  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.026  -0.226   0.644  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        1.890   0.597  -0.489  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        2.934   1.456  -0.832  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.102   1.507  -0.051  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.235   0.691   1.089  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1        5.333   0.711   1.865  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        6.337   1.549   1.523  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        6.301   2.387   0.425  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.164   2.364  -0.373  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.191  -0.162   1.417  0.00  0.00    +0.075 A 
BRANCH   5  16
ATOM     15  C   LIG    1        1.146  -2.058   1.899  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        0.963  -1.057   0.905  0.00  0.00    -0.493 OA
ENDBRANCH   5  16
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1       -0.967   0.726  -2.942  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1       -2.018   0.018  -2.264  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1       -3.131  -0.179  -3.070  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -4.204  -0.868  -2.543  0.00  0.00    +0.131 A 
ATOM     21  N   LIG    1       -4.150  -1.298  -1.267  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1       -3.064  -1.035  -0.515  0.00  0.00    +0.218 A 
ATOM     23  S   LIG    1       -2.922   0.506  -4.621  0.00  0.00    -0.093 S 
ATOM     24  N   LIG    1       -1.968  -0.428  -0.986  0.00  0.00    -0.213 NA
ATOM     25  C   LIG    1       -1.358   1.062  -4.229  0.00  0.00    +0.061 A 
BRANCH  22  26
ATOM     26  N   LIG    1       -3.056  -1.458   0.815  0.00  0.00    -0.301 N 
ATOM     27  C   LIG    1       -4.250  -2.162   1.251  0.00  0.00    +0.132 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -2.439  -0.512   1.758  0.00  0.00    +0.135 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.331   0.694   2.106  0.00  0.00    +0.174 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.437   1.610   1.021  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -4.061   2.304   1.288  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   3  17
TORSDOF 7