REMARK  Name = BDB057613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.221  -0.435  -0.133  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.179   0.475   0.046  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.844   0.040  -0.021  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.761   1.020   0.169  0.00  0.00    +0.193 C 
ATOM      5  C   LIG    1       -0.641   0.535   0.156  0.00  0.00    +0.040 C 
ATOM      6  C   LIG    1       -1.687   1.574   0.479  0.00  0.00    +0.182 C 
ATOM      7  C   LIG    1       -3.071   0.964   0.834  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1       -4.160   2.043   0.877  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.420  -0.152  -0.167  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -2.347  -1.264  -0.160  0.00  0.00    +0.180 C 
ATOM     11  C   LIG    1       -0.933  -0.748  -0.115  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        0.145  -1.739  -0.343  0.00  0.00    +0.196 C 
ATOM     13  O   LIG    1       -0.120  -2.915  -0.587  0.00  0.00    -0.287 OA
ATOM     14  O   LIG    1        1.009   2.212   0.315  0.00  0.00    -0.287 OA
ATOM     15  C   LIG    1        1.547  -1.298  -0.270  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        2.596  -2.205  -0.450  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1        3.921  -1.776  -0.381  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        5.920   1.208   0.152  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.556  -0.145  -0.092  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH   6  20
ATOM     20  O   LIG    1       -1.789   2.428  -0.661  0.00  0.00    -0.384 OA
ATOM     21  H   LIG    1       -0.976   2.974  -0.657  0.00  0.00    +0.210 HD
ENDBRANCH   6  20
BRANCH   7  22
ATOM     22  O   LIG    1       -3.009   0.382   2.154  0.00  0.00    -0.383 OA
ATOM     23  H   LIG    1       -3.874  -0.061   2.278  0.00  0.00    +0.210 HD
ENDBRANCH   7  22
BRANCH   9  24
ATOM     24  O   LIG    1       -4.684  -0.746   0.195  0.00  0.00    -0.386 OA
ATOM     25  H   LIG    1       -4.831  -1.451  -0.467  0.00  0.00    +0.210 HD
ENDBRANCH   9  24
BRANCH  10  26
ATOM     26  O   LIG    1       -2.575  -2.056  -1.333  0.00  0.00    -0.384 OA
ATOM     27  H   LIG    1       -1.920  -2.785  -1.303  0.00  0.00    +0.210 HD
ENDBRANCH  10  26
BRANCH  16  28
ATOM     28  O   LIG    1        2.404  -3.538  -0.698  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1        1.438  -3.717  -0.734  0.00  0.00    +0.292 HD
ENDBRANCH  16  28
TORSDOF 6