REMARK  Name = BDB035965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.411  -0.816  -0.705  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.746  -0.234  -0.145  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.133  -1.119   0.843  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.255  -0.949   1.666  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.046   0.206   1.468  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.656   1.118   0.483  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.317   2.368   0.021  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.180   2.971  -0.803  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.300   1.909  -1.238  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.255  -2.156   0.875  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.528   0.905  -0.309  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.719  -1.965  -0.093  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.134  -0.248  -1.744  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.898   0.699  -2.035  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.659  -0.743  -2.212  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -2.537  -2.108  -2.679  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.159   0.290  -3.102  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.592   0.508   0.046  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.634  -0.656  -0.736  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.455  -1.715  -0.338  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.208  -1.615   0.839  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -5.122  -0.477   1.638  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.310   0.584   1.244  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.604   2.672  -0.754  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.803   1.573  -0.311  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -4.649  -2.816  -1.125  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -3.994  -3.964  -0.581  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.276   0.425   2.316  0.00  0.00    +0.180 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.499   0.312   1.543  0.00  0.00    -0.247 N 
ATOM     30  N   LIG    1        6.285   1.388   1.352  0.00  0.00    -0.065 NA
ATOM     31  N   LIG    1        7.327   0.997   0.632  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1        7.196  -0.342   0.391  0.00  0.00    +0.156 A 
ATOM     33  C   LIG    1        6.040  -0.802   0.972  0.00  0.00    +0.130 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7