REMARK  Name = BDB049527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.519   1.383  -1.397  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.818   1.026  -1.172  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.264  -0.011  -0.355  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.635  -0.267  -0.225  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        4.574   0.516  -0.904  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        4.125   1.545  -1.735  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.756   1.797  -1.863  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        6.013   0.256  -0.799  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1        6.753   0.337   0.315  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        8.216   0.067   0.303  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        8.867  -0.262  -0.675  0.00  0.00    -0.269 OA
ATOM     12  N   LIG    1        8.726   0.239   1.554  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        9.705   0.098   1.741  0.00  0.00    +0.159 HD
ATOM     14  C   LIG    1        7.877   0.604   2.547  0.00  0.00    +0.283 C 
ATOM     15  O   LIG    1        8.179   0.788   3.714  0.00  0.00    -0.262 OA
ATOM     16  S   LIG    1        6.255   0.770   1.907  0.00  0.00    -0.026 S 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.516   0.715  -0.669  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.978  -0.550  -1.405  0.00  0.00    +0.145 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.399  -2.278   0.330  0.00  0.00    +0.129 C 
ATOM     20  N   LIG    1       -1.962  -1.332  -0.631  0.00  0.00    -0.330 N 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.239  -0.804  -0.413  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.981  -1.072   0.752  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -5.272  -0.547   0.978  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.863   0.273  -0.002  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -7.147   0.799   0.216  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.841   0.518   1.394  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.260  -0.291   2.365  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.152   0.537  -1.175  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -5.984  -0.821   2.158  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.871   0.003  -1.373  0.00  0.00    +0.024 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6