REMARK  Name = BDB058051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.210   0.781   2.197  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.998  -0.471   1.603  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.296  -0.977   1.440  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.395  -0.230   1.874  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.198   0.997   2.509  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.098   1.499   2.664  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.583  -0.210  -1.004  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.026   0.443   0.082  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -3.733   0.333   0.540  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -3.640   1.150   1.657  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -4.941   1.814   1.927  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.243   2.585   2.811  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.548   1.359   2.406  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -5.794   1.310   0.858  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.122   1.582   0.592  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -7.692   0.948  -0.512  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.932   0.062  -1.305  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.439  -2.115  -2.517  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.858  -2.807  -2.975  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -6.393  -2.373  -2.315  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -4.768  -1.146  -1.820  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -3.547  -1.089  -1.861  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        2.773  -0.753   1.727  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        3.160  -1.301   0.504  0.00  0.00    -0.288 N 
ATOM     25  C   LIG    1        2.659  -0.780  -0.781  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1        3.756  -0.043  -1.480  0.00  0.00    +0.151 A 
ATOM     27  N   LIG    1        5.069  -0.119  -1.091  0.00  0.00    -0.310 N 
ATOM     28  C   LIG    1        5.781   0.662  -1.954  0.00  0.00    +0.159 A 
ATOM     29  N   LIG    1        4.947   1.166  -2.843  0.00  0.00    -0.132 NA
ATOM     30  C   LIG    1        5.538  -0.894   0.041  0.00  0.00    +0.144 C 
ATOM     31  N   LIG    1        3.677   0.727  -2.543  0.00  0.00    -0.133 NA
ATOM     32  C   LIG    1        4.483  -1.926   0.435  0.00  0.00    +0.130 C 
ATOM     33  O   LIG    1        3.522  -0.707   2.700  0.00  0.00    -0.270 OA
BRANCH  28  34
ATOM     34  C   LIG    1        7.245   0.869  -1.891  0.00  0.00    +0.232 C 
BRANCH  34  35
ATOM     35  O   LIG    1        7.861  -0.324  -2.363  0.00  0.00    -0.387 OA
ATOM     36  H   LIG    1        7.576  -0.419  -3.291  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH  28  34
ENDBRANCH   4  23
TORSDOF 5