REMARK  Name = BDB046798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.088  -0.716   0.744  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -1.214  -1.205   1.457  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.567  -2.556   1.387  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.813  -3.361   0.559  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -0.936  -4.727   0.275  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.066  -5.101  -0.646  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1        0.808  -3.928  -0.912  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.933  -3.836  -1.797  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1        0.255  -6.210  -1.119  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -1.940  -5.598   0.817  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1        0.269  -2.867  -0.174  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1        0.654  -1.546  -0.107  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  13
ATOM     13  N   LIG    1       -1.954  -0.298   2.297  0.00  0.00    -0.211 N 
ATOM     14  H   LIG    1       -1.507   0.624   2.337  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -3.584  -0.024   1.879  0.00  0.00    +0.091 S 
ATOM     16  O   LIG    1       -4.092   0.987   2.783  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1       -4.275  -1.282   1.682  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.624   0.756   0.320  0.00  0.00    +0.215 A 
ATOM     19  N   LIG    1       -2.562   1.488  -0.182  0.00  0.00    -0.213 NA
ATOM     20  C   LIG    1       -2.953   1.916  -1.366  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1       -2.147   2.747  -2.296  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -4.233   1.488  -1.639  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1       -4.988   1.765  -2.837  0.00  0.00    +0.150 C 
ATOM     24  C   LIG    1       -4.672   0.750  -0.577  0.00  0.00    +0.136 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
BRANCH   1  25
ATOM     25  O   LIG    1        0.202   0.629   0.878  0.00  0.00    -0.454 OA
BRANCH  25  28
ATOM     26  C   LIG    1        3.348   2.420   0.382  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        2.024   1.995   0.244  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        1.522   0.975   1.052  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        2.322   0.397   2.036  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        3.642   0.821   2.180  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        4.155   1.827   1.354  0.00  0.00    +0.046 A 
BRANCH  26  32
ATOM     32  O   LIG    1        3.713   3.416  -0.480  0.00  0.00    -0.492 OA
BRANCH  32  34
ATOM     33  C   LIG    1        5.262   4.982   0.537  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        5.065   3.871  -0.480  0.00  0.00    +0.225 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7