REMARK  Name = BDB054520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.045   2.531  -1.306  0.00  0.00    -0.076 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.270   0.955  -2.002  0.00  0.00    +0.197 A 
ATOM      3  N   LIG    1        2.218   0.013  -1.634  0.00  0.00    -0.274 N 
ATOM      4  C   LIG    1        1.848  -1.125  -2.344  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1        2.583  -2.412  -2.377  0.00  0.00    +0.088 C 
ATOM      6  N   LIG    1        0.792  -0.857  -3.086  0.00  0.00    -0.133 NA
ATOM      7  N   LIG    1        0.437   0.445  -2.877  0.00  0.00    -0.122 NA
BRANCH   3   8
ATOM      8  C   LIG    1        3.317   0.159  -0.747  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        4.095   1.324  -0.771  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.174   1.471   0.110  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.481   0.462   1.021  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        4.703  -0.697   1.042  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.627  -0.856   0.163  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  O   LIG    1        6.499   0.482   1.933  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1        7.340   1.629   1.937  0.00  0.00    +0.277 C 
ENDBRANCH  11  14
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.605   2.127   0.410  0.00  0.00    +0.176 C 
BRANCH  16  19
ATOM     17  C   LIG    1       -2.323   0.098   0.641  0.00  0.00    +0.202 A 
ATOM     18  N   LIG    1       -1.814   1.363   0.426  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -0.519   1.172   0.531  0.00  0.00    +0.238 A 
ATOM     20  O   LIG    1       -0.189  -0.115   0.839  0.00  0.00    -0.337 OA
ATOM     21  N   LIG    1       -1.383  -0.823   0.917  0.00  0.00    -0.056 NA
BRANCH  17  25
ATOM     22  C   LIG    1       -6.529  -0.698   0.497  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -5.629  -1.711   0.835  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.254  -1.460   0.883  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -3.754  -0.183   0.594  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.663   0.829   0.255  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.040   0.575   0.206  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -8.794  -0.091   0.112  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -7.842  -1.079   0.488  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  17  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7