REMARK  Name = BDB065302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876   0.155   0.241  0.00  0.00    +0.349 C 
ATOM      2  O   LIG    1       -1.205  -0.903   0.762  0.00  0.00    -0.244 OA
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        5.155  -1.076  -0.092  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        5.674   0.194  -0.408  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1        4.799   1.271  -0.585  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        3.414   1.100  -0.445  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.895  -0.160  -0.131  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        1.451  -0.390  -0.006  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.533   0.589   0.085  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1        0.877   2.028   0.088  0.00  0.00    +0.231 A 
ATOM     11  O   LIG    1        0.149   2.868   0.602  0.00  0.00    -0.279 OA
ATOM     12  S   LIG    1        2.364   2.513  -0.703  0.00  0.00    -0.046 S 
ATOM     13  C   LIG    1        3.772  -1.243   0.040  0.00  0.00    +0.058 A 
BRANCH   3  15
ATOM     14  C   LIG    1        5.604  -3.368   0.432  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.077  -2.081   0.062  0.00  0.00    -0.491 OA
ENDBRANCH   3  15
BRANCH   4  16
ATOM     16  O   LIG    1        7.039   0.275  -0.524  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1        7.606   1.543  -0.824  0.00  0.00    +0.277 C 
ENDBRANCH   4  16
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  O   LIG    1       -1.709   1.085  -0.356  0.00  0.00    -0.422 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.074   0.816  -0.220  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1       -3.674  -0.216  -0.938  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1       -5.056  -0.437  -0.823  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -5.841   0.399   0.006  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -7.229   0.123   0.077  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -7.816  -0.881  -0.601  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -7.035  -1.655  -1.379  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -5.196   1.451   0.704  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.672  -1.477  -1.523  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.822   1.663   0.586  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  N   LIG    1       -8.087   0.898   0.875  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -7.778   0.847   1.840  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -8.044   1.865   0.569  0.00  0.00    +0.144 HD
ENDBRANCH  23  29
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6